################################### # 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 20123 _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 1H-1H NOESY' . . . 20123 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 SER HA H 1 4.52 0.01 . 1 . . . . 1 S HA . 20123 1 2 . 1 1 1 1 SER HB2 H 1 3.96 0.01 . 2 . . . . 1 S HB2 . 20123 1 3 . 1 1 1 1 SER HB3 H 1 3.87 0.01 . 2 . . . . 1 S HB3 . 20123 1 4 . 1 1 1 1 SER CA C 13 59.62 0.01 . 1 . . . . 1 S CA . 20123 1 5 . 1 1 1 1 SER CB C 13 64.60 0.01 . 1 . . . . 1 S CB . 20123 1 6 . 1 1 2 2 THR H H 1 8.13 0.01 . 1 . . . . 2 T HN . 20123 1 7 . 1 1 2 2 THR HA H 1 4.13 0.01 . 1 . . . . 2 T HA . 20123 1 8 . 1 1 2 2 THR HB H 1 4.16 0.01 . 1 . . . . 2 T HB . 20123 1 9 . 1 1 2 2 THR HG21 H 1 1.25 0.01 . 1 . . . . 2 T HG21 . 20123 1 10 . 1 1 2 2 THR HG22 H 1 1.25 0.01 . 1 . . . . 2 T HG22 . 20123 1 11 . 1 1 2 2 THR HG23 H 1 1.25 0.01 . 1 . . . . 2 T HG23 . 20123 1 12 . 1 1 2 2 THR CA C 13 65.25 0.01 . 1 . . . . 2 T CA . 20123 1 13 . 1 1 2 2 THR CB C 13 70.03 0.01 . 1 . . . . 2 T CB . 20123 1 14 . 1 1 2 2 THR CG2 C 13 22.46 0.01 . 1 . . . . 2 T CG2 . 20123 1 15 . 1 1 3 3 TRP H H 1 7.81 0.01 . 1 . . . . 3 W HN . 20123 1 16 . 1 1 3 3 TRP HA H 1 4.51 0.01 . 1 . . . . 3 W HA . 20123 1 17 . 1 1 3 3 TRP HB2 H 1 3.35 0.01 . 1 . . . . 3 W HB2 . 20123 1 18 . 1 1 3 3 TRP HB3 H 1 3.35 0.01 . 1 . . . . 3 W HB3 . 20123 1 19 . 1 1 3 3 TRP HD1 H 1 7.29 0.01 . 1 . . . . 3 W HD1 . 20123 1 20 . 1 1 3 3 TRP HE3 H 1 7.58 0.01 . 1 . . . . 3 W HE3 . 20123 1 21 . 1 1 3 3 TRP HH2 H 1 7.23 0.01 . 1 . . . . 3 W HH2 . 20123 1 22 . 1 1 3 3 TRP HZ2 H 1 7.48 0.01 . 1 . . . . 3 W HZ2 . 20123 1 23 . 1 1 3 3 TRP HZ3 H 1 7.14 0.01 . 1 . . . . 3 W HZ3 . 20123 1 24 . 1 1 3 3 TRP CB C 13 29.70 0.01 . 1 . . . . 3 W CB . 20123 1 25 . 1 1 3 3 TRP CD1 C 13 127.52 0.01 . 1 . . . . 3 W CD1 . 20123 1 26 . 1 1 3 3 TRP CE3 C 13 121.42 0.01 . 1 . . . . 3 W CE3 . 20123 1 27 . 1 1 3 3 TRP CH2 C 13 125.56 0.01 . 1 . . . . 3 W CH2 . 20123 1 28 . 1 1 3 3 TRP CZ2 C 13 115.29 0.01 . 1 . . . . 3 W CZ2 . 20123 1 29 . 1 1 3 3 TRP CZ3 C 13 122.82 0.01 . 1 . . . . 3 W CZ3 . 20123 1 30 . 1 1 4 4 VAL H H 1 7.33 0.01 . 1 . . . . 4 V HN . 20123 1 31 . 1 1 4 4 VAL HA H 1 3.72 0.01 . 1 . . . . 4 V HA . 20123 1 32 . 1 1 4 4 VAL HB H 1 2.03 0.01 . 1 . . . . 4 V HB . 20123 1 33 . 1 1 4 4 VAL HG11 H 1 0.88 0.01 . 1 . . . . 4 V HG11 . 20123 1 34 . 1 1 4 4 VAL HG12 H 1 0.88 0.01 . 1 . . . . 4 V HG12 . 20123 1 35 . 1 1 4 4 VAL HG13 H 1 0.88 0.01 . 1 . . . . 4 V HG13 . 20123 1 36 . 1 1 4 4 VAL HG21 H 1 0.85 0.01 . 2 . . . . 4 V HG21 . 20123 1 37 . 1 1 4 4 VAL HG22 H 1 0.85 0.01 . 2 . . . . 4 V HG22 . 20123 1 38 . 1 1 4 4 VAL HG23 H 1 0.85 0.01 . 2 . . . . 4 V HG23 . 20123 1 39 . 1 1 4 4 VAL CA C 13 65.73 0.01 . 1 . . . . 4 V CA . 20123 1 40 . 1 1 4 4 VAL CB C 13 32.92 0.01 . 1 . . . . 4 V CB . 20123 1 41 . 1 1 4 4 VAL CG1 C 13 21.28 0.01 . 2 . . . . 4 V CG1 . 20123 1 42 . 1 1 4 4 VAL CG2 C 13 21.55 0.01 . 2 . . . . 4 V CG2 . 20123 1 43 . 1 1 5 5 LEU H H 1 7.44 0.01 . 1 . . . . 5 L HN . 20123 1 44 . 1 1 5 5 LEU HA H 1 4.26 0.01 . 1 . . . . 5 L HA . 20123 1 45 . 1 1 5 5 LEU HB2 H 1 1.80 0.01 . 2 . . . . 5 L HB2 . 20123 1 46 . 1 1 5 5 LEU HB3 H 1 1.70 0.01 . 2 . . . . 5 L HB3 . 20123 1 47 . 1 1 5 5 LEU HD11 H 1 0.96 0.01 . 2 . . . . 5 L HD11 . 20123 1 48 . 1 1 5 5 LEU HD12 H 1 0.96 0.01 . 2 . . . . 5 L HD12 . 20123 1 49 . 1 1 5 5 LEU HD13 H 1 0.96 0.01 . 2 . . . . 5 L HD13 . 20123 1 50 . 1 1 5 5 LEU HD21 H 1 0.90 0.01 . 2 . . . . 5 L HD21 . 20123 1 51 . 1 1 5 5 LEU HD22 H 1 0.90 0.01 . 2 . . . . 5 L HD22 . 20123 1 52 . 1 1 5 5 LEU HD23 H 1 0.90 0.01 . 2 . . . . 5 L HD23 . 20123 1 53 . 1 1 5 5 LEU CB C 13 42.85 0.01 . 1 . . . . 5 L CB . 20123 1 54 . 1 1 5 5 LEU CD1 C 13 24.94 0.01 . 2 . . . . 5 L CD1 . 20123 1 55 . 1 1 5 5 LEU CD2 C 13 23.73 0.01 . 2 . . . . 5 L CD2 . 20123 1 56 . 1 1 6 6 VAL H H 1 7.85 0.01 . 1 . . . . 6 V HN . 20123 1 57 . 1 1 6 6 VAL HA H 1 3.79 0.01 . 1 . . . . 6 V HA . 20123 1 58 . 1 1 6 6 VAL HB H 1 2.13 0.01 . 1 . . . . 6 V HB . 20123 1 59 . 1 1 6 6 VAL HG11 H 1 1.05 0.01 . 2 . . . . 6 V HG11 . 20123 1 60 . 1 1 6 6 VAL HG12 H 1 1.05 0.01 . 2 . . . . 6 V HG12 . 20123 1 61 . 1 1 6 6 VAL HG13 H 1 1.05 0.01 . 2 . . . . 6 V HG13 . 20123 1 62 . 1 1 6 6 VAL HG21 H 1 0.99 0.01 . 2 . . . . 6 V HG21 . 20123 1 63 . 1 1 6 6 VAL HG22 H 1 0.99 0.01 . 2 . . . . 6 V HG22 . 20123 1 64 . 1 1 6 6 VAL HG23 H 1 0.99 0.01 . 2 . . . . 6 V HG23 . 20123 1 65 . 1 1 6 6 VAL CA C 13 66.45 0.01 . 1 . . . . 6 V CA . 20123 1 66 . 1 1 6 6 VAL CB C 13 33.06 0.01 . 1 . . . . 6 V CB . 20123 1 67 . 1 1 6 6 VAL CG1 C 13 22.19 0.01 . 2 . . . . 6 V CG1 . 20123 1 68 . 1 1 6 6 VAL CG2 C 13 21.17 0.01 . 2 . . . . 6 V CG2 . 20123 1 69 . 1 1 7 7 GLY H H 1 8.18 0.01 . 1 . . . . 7 G HN . 20123 1 70 . 1 1 7 7 GLY HA2 H 1 3.79 0.01 . 2 . . . . 7 G HA2 . 20123 1 71 . 1 1 7 7 GLY HA3 H 1 3.79 0.01 . 2 . . . . 7 G HA3 . 20123 1 72 . 1 1 7 7 GLY CA C 13 47.68 0.01 . 1 . . . . 7 G CA . 20123 1 73 . 1 1 8 8 GLY H H 1 7.93 0.01 . 1 . . . . 8 G HN . 20123 1 74 . 1 1 8 8 GLY HA2 H 1 3.95 0.01 . 2 . . . . 8 G HA2 . 20123 1 75 . 1 1 8 8 GLY HA3 H 1 3.95 0.01 . 2 . . . . 8 G HA3 . 20123 1 76 . 1 1 8 8 GLY CA C 13 47.45 0.01 . 1 . . . . 8 G CA . 20123 1 77 . 1 1 9 9 VAL H H 1 7.88 0.01 . 1 . . . . 9 V HN . 20123 1 78 . 1 1 9 9 VAL HA H 1 3.80 0.01 . 1 . . . . 9 V HA . 20123 1 79 . 1 1 9 9 VAL HB H 1 2.28 0.01 . 1 . . . . 9 V HB . 20123 1 80 . 1 1 9 9 VAL HG11 H 1 1.07 0.01 . 2 . . . . 9 V HG11 . 20123 1 81 . 1 1 9 9 VAL HG12 H 1 1.07 0.01 . 2 . . . . 9 V HG12 . 20123 1 82 . 1 1 9 9 VAL HG13 H 1 1.07 0.01 . 2 . . . . 9 V HG13 . 20123 1 83 . 1 1 9 9 VAL HG21 H 1 0.99 0.01 . 2 . . . . 9 V HG21 . 20123 1 84 . 1 1 9 9 VAL HG22 H 1 0.99 0.01 . 2 . . . . 9 V HG22 . 20123 1 85 . 1 1 9 9 VAL HG23 H 1 0.99 0.01 . 2 . . . . 9 V HG23 . 20123 1 86 . 1 1 9 9 VAL CA C 13 67.20 0.01 . 1 . . . . 9 V CA . 20123 1 87 . 1 1 9 9 VAL CB C 13 32.66 0.01 . 1 . . . . 9 V CB . 20123 1 88 . 1 1 9 9 VAL CG1 C 13 22.45 0.01 . 2 . . . . 9 V CG1 . 20123 1 89 . 1 1 9 9 VAL CG2 C 13 21.32 0.01 . 2 . . . . 9 V CG2 . 20123 1 90 . 1 1 10 10 LEU H H 1 8.22 0.01 . 1 . . . . 10 L HN . 20123 1 91 . 1 1 10 10 LEU HA H 1 4.15 0.01 . 1 . . . . 10 L HA . 20123 1 92 . 1 1 10 10 LEU HB2 H 1 1.90 0.01 . 2 . . . . 10 L HB2 . 20123 1 93 . 1 1 10 10 LEU HB3 H 1 1.60 0.01 . 2 . . . . 10 L HB3 . 20123 1 94 . 1 1 10 10 LEU HD11 H 1 0.97 0.01 . 2 . . . . 10 L HD11 . 20123 1 95 . 1 1 10 10 LEU HD12 H 1 0.97 0.01 . 2 . . . . 10 L HD12 . 20123 1 96 . 1 1 10 10 LEU HD13 H 1 0.97 0.01 . 2 . . . . 10 L HD13 . 20123 1 97 . 1 1 10 10 LEU HD21 H 1 0.92 0.01 . 2 . . . . 10 L HD21 . 20123 1 98 . 1 1 10 10 LEU HD22 H 1 0.92 0.01 . 2 . . . . 10 L HD22 . 20123 1 99 . 1 1 10 10 LEU HD23 H 1 0.92 0.01 . 2 . . . . 10 L HD23 . 20123 1 100 . 1 1 10 10 LEU CA C 13 59.06 0.01 . 1 . . . . 10 L CA . 20123 1 101 . 1 1 10 10 LEU CB C 13 42.21 0.01 . 1 . . . . 10 L CB . 20123 1 102 . 1 1 10 10 LEU CD1 C 13 25.32 0.01 . 2 . . . . 10 L CD1 . 20123 1 103 . 1 1 11 11 ALA H H 1 7.97 0.01 . 1 . . . . 11 A HN . 20123 1 104 . 1 1 11 11 ALA HA H 1 4.17 0.01 . 1 . . . . 11 A HA . 20123 1 105 . 1 1 11 11 ALA HB1 H 1 1.57 0.01 . 1 . . . . 11 A HB1 . 20123 1 106 . 1 1 11 11 ALA HB2 H 1 1.57 0.01 . 1 . . . . 11 A HB2 . 20123 1 107 . 1 1 11 11 ALA HB3 H 1 1.57 0.01 . 1 . . . . 11 A HB3 . 20123 1 108 . 1 1 11 11 ALA CA C 13 56.01 0.01 . 1 . . . . 11 A CA . 20123 1 109 . 1 1 12 12 ALA H H 1 7.80 0.01 . 1 . . . . 12 A HN . 20123 1 110 . 1 1 12 12 ALA HA H 1 4.21 0.01 . 1 . . . . 12 A HA . 20123 1 111 . 1 1 12 12 ALA HB1 H 1 1.61 0.01 . 1 . . . . 12 A HB1 . 20123 1 112 . 1 1 12 12 ALA HB2 H 1 1.61 0.01 . 1 . . . . 12 A HB2 . 20123 1 113 . 1 1 12 12 ALA HB3 H 1 1.61 0.01 . 1 . . . . 12 A HB3 . 20123 1 114 . 1 1 12 12 ALA CA C 13 56.01 0.01 . 1 . . . . 12 A CA . 20123 1 115 . 1 1 12 12 ALA CB C 13 18.42 0.01 . 1 . . . . 12 A CB . 20123 1 116 . 1 1 13 13 LEU H H 1 8.54 0.01 . 1 . . . . 13 L HN . 20123 1 117 . 1 1 13 13 LEU HA H 1 4.25 0.01 . 1 . . . . 13 L HA . 20123 1 118 . 1 1 13 13 LEU HB2 H 1 1.92 0.01 . 2 . . . . 13 L HB2 . 20123 1 119 . 1 1 13 13 LEU HB3 H 1 1.75 0.01 . 2 . . . . 13 L HB3 . 20123 1 120 . 1 1 13 13 LEU HD11 H 1 0.93 0.01 . 2 . . . . 13 L HD11 . 20123 1 121 . 1 1 13 13 LEU HD12 H 1 0.93 0.01 . 2 . . . . 13 L HD12 . 20123 1 122 . 1 1 13 13 LEU HD13 H 1 0.93 0.01 . 2 . . . . 13 L HD13 . 20123 1 123 . 1 1 13 13 LEU HD21 H 1 0.89 0.01 . 2 . . . . 13 L HD21 . 20123 1 124 . 1 1 13 13 LEU HD22 H 1 0.89 0.01 . 2 . . . . 13 L HD22 . 20123 1 125 . 1 1 13 13 LEU HD23 H 1 0.89 0.01 . 2 . . . . 13 L HD23 . 20123 1 126 . 1 1 13 13 LEU CB C 13 42.81 0.01 . 1 . . . . 13 L CB . 20123 1 127 . 1 1 13 13 LEU CD1 C 13 24.98 0.01 . 2 . . . . 13 L CD1 . 20123 1 128 . 1 1 13 13 LEU CD2 C 13 23.66 0.01 . 2 . . . . 13 L CD2 . 20123 1 129 . 1 1 14 14 ALA H H 1 8.59 0.01 . 1 . . . . 14 A HN . 20123 1 130 . 1 1 14 14 ALA HA H 1 4.09 0.01 . 1 . . . . 14 A HA . 20123 1 131 . 1 1 14 14 ALA HB1 H 1 1.57 0.01 . 1 . . . . 14 A HB1 . 20123 1 132 . 1 1 14 14 ALA HB2 H 1 1.57 0.01 . 1 . . . . 14 A HB2 . 20123 1 133 . 1 1 14 14 ALA HB3 H 1 1.57 0.01 . 1 . . . . 14 A HB3 . 20123 1 134 . 1 1 14 14 ALA CA C 13 56.65 0.01 . 1 . . . . 14 A CA . 20123 1 135 . 1 1 15 15 ALA H H 1 8.11 0.01 . 1 . . . . 15 A HN . 20123 1 136 . 1 1 15 15 ALA HA H 1 4.12 0.01 . 1 . . . . 15 A HA . 20123 1 137 . 1 1 15 15 ALA HB1 H 1 1.60 0.01 . 1 . . . . 15 A HB1 . 20123 1 138 . 1 1 15 15 ALA HB2 H 1 1.60 0.01 . 1 . . . . 15 A HB2 . 20123 1 139 . 1 1 15 15 ALA HB3 H 1 1.60 0.01 . 1 . . . . 15 A HB3 . 20123 1 140 . 1 1 15 15 ALA CA C 13 56.23 0.01 . 1 . . . . 15 A CA . 20123 1 141 . 1 1 15 15 ALA CB C 13 18.42 0.01 . 1 . . . . 15 A CB . 20123 1 142 . 1 1 16 16 TYR H H 1 8.47 0.01 . 1 . . . . 16 Y HN . 20123 1 143 . 1 1 16 16 TYR HA H 1 4.22 0.01 . 1 . . . . 16 Y HA . 20123 1 144 . 1 1 16 16 TYR HB2 H 1 3.40 0.01 . 2 . . . . 16 Y HB2 . 20123 1 145 . 1 1 16 16 TYR HB3 H 1 3.29 0.01 . 2 . . . . 16 Y HB3 . 20123 1 146 . 1 1 16 16 TYR HD1 H 1 7.17 0.01 . 3 . . . . 16 Y HD1 . 20123 1 147 . 1 1 16 16 TYR HD2 H 1 7.17 0.01 . 3 . . . . 16 Y HD2 . 20123 1 148 . 1 1 16 16 TYR HE1 H 1 6.82 0.01 . 3 . . . . 16 Y HE1 . 20123 1 149 . 1 1 16 16 TYR HE2 H 1 6.82 0.01 . 3 . . . . 16 Y HE2 . 20123 1 150 . 1 1 16 16 TYR CA C 13 62.79 0.01 . 1 . . . . 16 Y CA . 20123 1 151 . 1 1 16 16 TYR CB C 13 39.06 0.01 . 1 . . . . 16 Y CB . 20123 1 152 . 1 1 16 16 TYR CD1 C 13 133.69 0.01 . 3 . . . . 16 Y CD . 20123 1 153 . 1 1 16 16 TYR CD2 C 13 133.69 0.01 . 3 . . . . 16 Y CD . 20123 1 154 . 1 1 16 16 TYR CE1 C 13 119.00 0.01 . 3 . . . . 16 Y CE . 20123 1 155 . 1 1 16 16 TYR CE2 C 13 119.00 0.01 . 3 . . . . 16 Y CE . 20123 1 156 . 1 1 17 17 CYS H H 1 8.86 0.01 . 1 . . . . 17 C HN . 20123 1 157 . 1 1 17 17 CYS HA H 1 3.98 0.01 . 1 . . . . 17 C HA . 20123 1 158 . 1 1 17 17 CYS HB2 H 1 3.22 0.01 . 2 . . . . 17 C HB2 . 20123 1 159 . 1 1 17 17 CYS HB3 H 1 2.92 0.01 . 2 . . . . 17 C HB3 . 20123 1 160 . 1 1 17 17 CYS CB C 13 27.30 0.01 . 1 . . . . 17 C CB . 20123 1 161 . 1 1 18 18 LEU H H 1 8.68 0.01 . 1 . . . . 18 L HN . 20123 1 162 . 1 1 18 18 LEU HA H 1 4.19 0.01 . 1 . . . . 18 L HA . 20123 1 163 . 1 1 18 18 LEU HB2 H 1 1.90 0.01 . 2 . . . . 18 L HB2 . 20123 1 164 . 1 1 18 18 LEU HB3 H 1 1.68 0.01 . 2 . . . . 18 L HB3 . 20123 1 165 . 1 1 18 18 LEU HD11 H 1 0.91 0.01 . 2 . . . . 18 L HD11 . 20123 1 166 . 1 1 18 18 LEU HD12 H 1 0.91 0.01 . 2 . . . . 18 L HD12 . 20123 1 167 . 1 1 18 18 LEU HD13 H 1 0.91 0.01 . 2 . . . . 18 L HD13 . 20123 1 168 . 1 1 18 18 LEU HD21 H 1 0.91 0.01 . 2 . . . . 18 L HD21 . 20123 1 169 . 1 1 18 18 LEU HD22 H 1 0.91 0.01 . 2 . . . . 18 L HD22 . 20123 1 170 . 1 1 18 18 LEU HD23 H 1 0.91 0.01 . 2 . . . . 18 L HD23 . 20123 1 171 . 1 1 18 18 LEU CA C 13 58.56 0.01 . 1 . . . . 18 L CA . 20123 1 172 . 1 1 18 18 LEU CB C 13 42.81 0.01 . 1 . . . . 18 L CB . 20123 1 173 . 1 1 18 18 LEU CD1 C 13 24.98 0.01 . 2 . . . . 18 L CD1 . 20123 1 174 . 1 1 19 19 SER H H 1 8.14 0.01 . 1 . . . . 19 S HN . 20123 1 175 . 1 1 19 19 SER HA H 1 4.31 0.01 . 1 . . . . 19 S HA . 20123 1 176 . 1 1 19 19 SER HB2 H 1 4.02 0.01 . 2 . . . . 19 S HB2 . 20123 1 177 . 1 1 19 19 SER HB3 H 1 4.02 0.01 . 2 . . . . 19 S HB3 . 20123 1 178 . 1 1 19 19 SER CA C 13 61.94 0.01 . 1 . . . . 19 S CA . 20123 1 179 . 1 1 19 19 SER CB C 13 64.41 0.01 . 1 . . . . 19 S CB . 20123 1 180 . 1 1 20 20 THR H H 1 7.78 0.01 . 1 . . . . 20 T HN . 20123 1 181 . 1 1 20 20 THR HA H 1 4.25 0.01 . 1 . . . . 20 T HA . 20123 1 182 . 1 1 20 20 THR HB H 1 4.18 0.01 . 1 . . . . 20 T HB . 20123 1 183 . 1 1 20 20 THR HG21 H 1 1.07 0.01 . 1 . . . . 20 T HG21 . 20123 1 184 . 1 1 20 20 THR HG22 H 1 1.07 0.01 . 1 . . . . 20 T HG22 . 20123 1 185 . 1 1 20 20 THR HG23 H 1 1.07 0.01 . 1 . . . . 20 T HG23 . 20123 1 186 . 1 1 20 20 THR CA C 13 64.31 0.01 . 1 . . . . 20 T CA . 20123 1 187 . 1 1 20 20 THR CB C 13 70.86 0.01 . 1 . . . . 20 T CB . 20123 1 188 . 1 1 20 20 THR CG2 C 13 21.81 0.01 . 1 . . . . 20 T CG2 . 20123 1 189 . 1 1 21 21 GLY H H 1 8.03 0.01 . 1 . . . . 21 G HN . 20123 1 190 . 1 1 21 21 GLY HA2 H 1 4.08 0.01 . 2 . . . . 21 G HA2 . 20123 1 191 . 1 1 21 21 GLY HA3 H 1 3.99 0.01 . 2 . . . . 21 G HA3 . 20123 1 192 . 1 1 21 21 GLY CA C 13 46.05 0.01 . 1 . . . . 21 G CA . 20123 1 193 . 1 1 22 22 SER H H 1 8.05 0.01 . 1 . . . . 22 S HN . 20123 1 194 . 1 1 22 22 SER HA H 1 4.48 0.01 . 1 . . . . 22 S HA . 20123 1 195 . 1 1 22 22 SER HB2 H 1 4.02 0.01 . 2 . . . . 22 S HB2 . 20123 1 196 . 1 1 22 22 SER HB3 H 1 3.97 0.01 . 2 . . . . 22 S HB3 . 20123 1 197 . 1 1 22 22 SER CA C 13 60.00 0.01 . 1 . . . . 22 S CA . 20123 1 198 . 1 1 22 22 SER CB C 13 64.75 0.01 . 1 . . . . 22 S CB . 20123 1 stop_ save_