################################### # 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 15749 _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 2 '2D 1H-1H TOCSY' . . . 15749 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 LEU H H 1 8.05 0.01 . 1 . . . . 1 LEU H . 15749 1 2 . 1 1 1 1 LEU HA H 1 4.29 0.01 . 1 . . . . 1 LEU HA . 15749 1 3 . 1 1 1 1 LEU HB2 H 1 1.61 0.01 . 2 . . . . 1 LEU HB2 . 15749 1 4 . 1 1 1 1 LEU HB3 H 1 1.61 0.01 . 2 . . . . 1 LEU HB3 . 15749 1 5 . 1 1 1 1 LEU HD11 H 1 0.80 0.01 . 2 . . . . 1 LEU HD11 . 15749 1 6 . 1 1 1 1 LEU HD12 H 1 0.80 0.01 . 2 . . . . 1 LEU HD12 . 15749 1 7 . 1 1 1 1 LEU HD13 H 1 0.80 0.01 . 2 . . . . 1 LEU HD13 . 15749 1 8 . 1 1 1 1 LEU HD21 H 1 0.80 0.01 . 2 . . . . 1 LEU HD21 . 15749 1 9 . 1 1 1 1 LEU HD22 H 1 0.80 0.01 . 2 . . . . 1 LEU HD22 . 15749 1 10 . 1 1 1 1 LEU HD23 H 1 0.80 0.01 . 2 . . . . 1 LEU HD23 . 15749 1 11 . 1 1 1 1 LEU HG H 1 1.49 0.01 . 1 . . . . 1 LEU HG . 15749 1 12 . 1 1 2 2 GLU H H 1 8.53 0.01 . 1 . . . . 2 GLU H . 15749 1 13 . 1 1 2 2 GLU HA H 1 4.29 0.01 . 1 . . . . 2 GLU HA . 15749 1 14 . 1 1 2 2 GLU HB2 H 1 1.87 0.01 . 1 . . . . 2 GLU HB2 . 15749 1 15 . 1 1 2 2 GLU HB3 H 1 2.05 0.01 . 1 . . . . 2 GLU HB3 . 15749 1 16 . 1 1 2 2 GLU HG2 H 1 2.34 0.01 . 2 . . . . 2 GLU HG2 . 15749 1 17 . 1 1 2 2 GLU HG3 H 1 2.34 0.01 . 2 . . . . 2 GLU HG3 . 15749 1 18 . 1 1 3 3 VAL H H 1 8.01 0.01 . 1 . . . . 3 VAL H . 15749 1 19 . 1 1 3 3 VAL HA H 1 3.99 0.01 . 1 . . . . 3 VAL HA . 15749 1 20 . 1 1 3 3 VAL HB H 1 1.97 0.01 . 1 . . . . 3 VAL HB . 15749 1 21 . 1 1 3 3 VAL HG11 H 1 0.80 0.01 . 2 . . . . 3 VAL HG11 . 15749 1 22 . 1 1 3 3 VAL HG12 H 1 0.80 0.01 . 2 . . . . 3 VAL HG12 . 15749 1 23 . 1 1 3 3 VAL HG13 H 1 0.80 0.01 . 2 . . . . 3 VAL HG13 . 15749 1 24 . 1 1 3 3 VAL HG21 H 1 0.80 0.01 . 2 . . . . 3 VAL HG21 . 15749 1 25 . 1 1 3 3 VAL HG22 H 1 0.80 0.01 . 2 . . . . 3 VAL HG22 . 15749 1 26 . 1 1 3 3 VAL HG23 H 1 0.80 0.01 . 2 . . . . 3 VAL HG23 . 15749 1 27 . 1 1 4 4 ARG H H 1 8.43 0.01 . 1 . . . . 4 ARG H . 15749 1 28 . 1 1 4 4 ARG HA H 1 4.22 0.01 . 1 . . . . 4 ARG HA . 15749 1 29 . 1 1 4 4 ARG HB2 H 1 1.67 0.01 . 2 . . . . 4 ARG HB2 . 15749 1 30 . 1 1 4 4 ARG HB3 H 1 1.74 0.01 . 2 . . . . 4 ARG HB3 . 15749 1 31 . 1 1 4 4 ARG HD2 H 1 3.08 0.01 . 2 . . . . 4 ARG HD2 . 15749 1 32 . 1 1 4 4 ARG HD3 H 1 3.08 0.01 . 2 . . . . 4 ARG HD3 . 15749 1 33 . 1 1 4 4 ARG HE H 1 7.17 0.01 . 1 . . . . 4 ARG HE . 15749 1 34 . 1 1 4 4 ARG HG2 H 1 1.50 0.01 . 2 . . . . 4 ARG HG2 . 15749 1 35 . 1 1 4 4 ARG HG3 H 1 1.50 0.01 . 2 . . . . 4 ARG HG3 . 15749 1 36 . 1 1 4 4 ARG HH11 H 1 7.17 0.01 . 1 . . . . 4 ARG HH11 . 15749 1 37 . 1 1 4 4 ARG HH12 H 1 7.17 0.01 . 1 . . . . 4 ARG HH12 . 15749 1 38 . 1 1 4 4 ARG HH21 H 1 7.17 0.01 . 1 . . . . 4 ARG HH21 . 15749 1 39 . 1 1 4 4 ARG HH22 H 1 7.17 0.01 . 1 . . . . 4 ARG HH22 . 15749 1 40 . 1 1 5 5 LEU H H 1 8.17 0.01 . 1 . . . . 5 LEU H . 15749 1 41 . 1 1 5 5 LEU HA H 1 3.99 0.01 . 1 . . . . 5 LEU HA . 15749 1 42 . 1 1 5 5 LEU HB2 H 1 1.64 0.01 . 2 . . . . 5 LEU HB2 . 15749 1 43 . 1 1 5 5 LEU HB3 H 1 1.64 0.01 . 2 . . . . 5 LEU HB3 . 15749 1 44 . 1 1 5 5 LEU HD11 H 1 0.70 0.01 . 2 . . . . 5 LEU HD11 . 15749 1 45 . 1 1 5 5 LEU HD12 H 1 0.70 0.01 . 2 . . . . 5 LEU HD12 . 15749 1 46 . 1 1 5 5 LEU HD13 H 1 0.70 0.01 . 2 . . . . 5 LEU HD13 . 15749 1 47 . 1 1 5 5 LEU HD21 H 1 0.75 0.01 . 2 . . . . 5 LEU HD21 . 15749 1 48 . 1 1 5 5 LEU HD22 H 1 0.75 0.01 . 2 . . . . 5 LEU HD22 . 15749 1 49 . 1 1 5 5 LEU HD23 H 1 0.75 0.01 . 2 . . . . 5 LEU HD23 . 15749 1 50 . 1 1 5 5 LEU HG H 1 1.41 0.01 . 1 . . . . 5 LEU HG . 15749 1 51 . 1 1 6 6 THR H H 1 8.14 0.01 . 1 . . . . 6 THR H . 15749 1 52 . 1 1 6 6 THR HA H 1 4.24 0.01 . 1 . . . . 6 THR HA . 15749 1 53 . 1 1 6 6 THR HB H 1 4.14 0.01 . 1 . . . . 6 THR HB . 15749 1 54 . 1 1 6 6 THR HG21 H 1 1.03 0.01 . 1 . . . . 6 THR HG21 . 15749 1 55 . 1 1 6 6 THR HG22 H 1 1.03 0.01 . 1 . . . . 6 THR HG22 . 15749 1 56 . 1 1 6 6 THR HG23 H 1 1.03 0.01 . 1 . . . . 6 THR HG23 . 15749 1 57 . 1 1 7 7 ALA H H 1 8.27 0.01 . 1 . . . . 7 ALA H . 15749 1 58 . 1 1 7 7 ALA HA H 1 4.24 0.01 . 1 . . . . 7 ALA HA . 15749 1 59 . 1 1 7 7 ALA HB1 H 1 1.31 0.01 . 1 . . . . 7 ALA HB1 . 15749 1 60 . 1 1 7 7 ALA HB2 H 1 1.31 0.01 . 1 . . . . 7 ALA HB2 . 15749 1 61 . 1 1 7 7 ALA HB3 H 1 1.31 0.01 . 1 . . . . 7 ALA HB3 . 15749 1 62 . 1 1 8 8 THR H H 1 8.33 0.01 . 1 . . . . 8 THR H . 15749 1 63 . 1 1 8 8 THR HA H 1 4.20 0.01 . 1 . . . . 8 THR HA . 15749 1 64 . 1 1 8 8 THR HB H 1 4.13 0.01 . 1 . . . . 8 THR HB . 15749 1 65 . 1 1 8 8 THR HG21 H 1 1.09 0.01 . 1 . . . . 8 THR HG21 . 15749 1 66 . 1 1 8 8 THR HG22 H 1 1.09 0.01 . 1 . . . . 8 THR HG22 . 15749 1 67 . 1 1 8 8 THR HG23 H 1 1.09 0.01 . 1 . . . . 8 THR HG23 . 15749 1 68 . 1 1 9 9 VAL H H 1 8.19 0.01 . 1 . . . . 9 VAL H . 15749 1 69 . 1 1 9 9 VAL HA H 1 4.38 0.01 . 1 . . . . 9 VAL HA . 15749 1 70 . 1 1 9 9 VAL HB H 1 1.97 0.01 . 1 . . . . 9 VAL HB . 15749 1 71 . 1 1 9 9 VAL HG11 H 1 0.80 0.01 . 2 . . . . 9 VAL HG11 . 15749 1 72 . 1 1 9 9 VAL HG12 H 1 0.80 0.01 . 2 . . . . 9 VAL HG12 . 15749 1 73 . 1 1 9 9 VAL HG13 H 1 0.80 0.01 . 2 . . . . 9 VAL HG13 . 15749 1 74 . 1 1 9 9 VAL HG21 H 1 0.80 0.01 . 2 . . . . 9 VAL HG21 . 15749 1 75 . 1 1 9 9 VAL HG22 H 1 0.80 0.01 . 2 . . . . 9 VAL HG22 . 15749 1 76 . 1 1 9 9 VAL HG23 H 1 0.80 0.01 . 2 . . . . 9 VAL HG23 . 15749 1 77 . 1 1 10 10 PRO HA H 1 4.33 0.01 . 1 . . . . 10 PRO HA . 15749 1 78 . 1 1 10 10 PRO HB2 H 1 2.19 0.01 . 2 . . . . 10 PRO HB2 . 15749 1 79 . 1 1 10 10 PRO HB3 H 1 2.19 0.01 . 2 . . . . 10 PRO HB3 . 15749 1 80 . 1 1 10 10 PRO HD2 H 1 3.66 0.01 . 1 . . . . 10 PRO HD2 . 15749 1 81 . 1 1 10 10 PRO HD3 H 1 3.81 0.01 . 1 . . . . 10 PRO HD3 . 15749 1 82 . 1 1 10 10 PRO HG2 H 1 1.92 0.01 . 2 . . . . 10 PRO HG2 . 15749 1 83 . 1 1 10 10 PRO HG3 H 1 1.92 0.01 . 2 . . . . 10 PRO HG3 . 15749 1 84 . 1 1 11 11 GLY H H 1 8.24 0.01 . 1 . . . . 11 GLY H . 15749 1 85 . 1 1 11 11 GLY HA2 H 1 3.79 0.01 . 2 . . . . 11 GLY HA2 . 15749 1 86 . 1 1 11 11 GLY HA3 H 1 3.79 0.01 . 2 . . . . 11 GLY HA3 . 15749 1 87 . 1 1 12 12 ALA H H 1 8.05 0.01 . 1 . . . . 12 ALA H . 15749 1 88 . 1 1 12 12 ALA HA H 1 4.27 0.01 . 1 . . . . 12 ALA HA . 15749 1 89 . 1 1 12 12 ALA HB1 H 1 1.30 0.01 . 1 . . . . 12 ALA HB1 . 15749 1 90 . 1 1 12 12 ALA HB2 H 1 1.30 0.01 . 1 . . . . 12 ALA HB2 . 15749 1 91 . 1 1 12 12 ALA HB3 H 1 1.30 0.01 . 1 . . . . 12 ALA HB3 . 15749 1 92 . 1 1 13 13 GLU H H 1 8.40 0.01 . 1 . . . . 13 GLU H . 15749 1 93 . 1 1 13 13 GLU HA H 1 4.26 0.01 . 1 . . . . 13 GLU HA . 15749 1 94 . 1 1 13 13 GLU HB2 H 1 1.87 0.01 . 2 . . . . 13 GLU HB2 . 15749 1 95 . 1 1 13 13 GLU HB3 H 1 2.01 0.01 . 2 . . . . 13 GLU HB3 . 15749 1 96 . 1 1 13 13 GLU HG2 H 1 2.33 0.01 . 2 . . . . 13 GLU HG2 . 15749 1 97 . 1 1 13 13 GLU HG3 H 1 2.33 0.01 . 2 . . . . 13 GLU HG3 . 15749 1 98 . 1 1 14 14 LEU H H 1 8.28 0.01 . 1 . . . . 14 LEU H . 15749 1 99 . 1 1 14 14 LEU HA H 1 4.30 0.01 . 1 . . . . 14 LEU HA . 15749 1 100 . 1 1 14 14 LEU HB2 H 1 1.58 0.01 . 2 . . . . 14 LEU HB2 . 15749 1 101 . 1 1 14 14 LEU HB3 H 1 1.58 0.01 . 2 . . . . 14 LEU HB3 . 15749 1 102 . 1 1 14 14 LEU HD11 H 1 0.75 0.01 . 2 . . . . 14 LEU HD11 . 15749 1 103 . 1 1 14 14 LEU HD12 H 1 0.75 0.01 . 2 . . . . 14 LEU HD12 . 15749 1 104 . 1 1 14 14 LEU HD13 H 1 0.75 0.01 . 2 . . . . 14 LEU HD13 . 15749 1 105 . 1 1 14 14 LEU HD21 H 1 0.81 0.01 . 2 . . . . 14 LEU HD21 . 15749 1 106 . 1 1 14 14 LEU HD22 H 1 0.81 0.01 . 2 . . . . 14 LEU HD22 . 15749 1 107 . 1 1 14 14 LEU HD23 H 1 0.81 0.01 . 2 . . . . 14 LEU HD23 . 15749 1 108 . 1 1 14 14 LEU HG H 1 1.44 0.01 . 1 . . . . 14 LEU HG . 15749 1 109 . 1 1 15 15 LYS H H 1 8.36 0.01 . 1 . . . . 15 LYS H . 15749 1 110 . 1 1 15 15 LYS HA H 1 4.29 0.01 . 1 . . . . 15 LYS HA . 15749 1 111 . 1 1 15 15 LYS HB2 H 1 1.76 0.01 . 2 . . . . 15 LYS HB2 . 15749 1 112 . 1 1 15 15 LYS HB3 H 1 1.76 0.01 . 2 . . . . 15 LYS HB3 . 15749 1 113 . 1 1 15 15 LYS HD2 H 1 1.65 0.01 . 2 . . . . 15 LYS HD2 . 15749 1 114 . 1 1 15 15 LYS HD3 H 1 1.65 0.01 . 2 . . . . 15 LYS HD3 . 15749 1 115 . 1 1 15 15 LYS HE2 H 1 2.68 0.01 . 2 . . . . 15 LYS HE2 . 15749 1 116 . 1 1 15 15 LYS HE3 H 1 2.68 0.01 . 2 . . . . 15 LYS HE3 . 15749 1 117 . 1 1 15 15 LYS HG2 H 1 1.31 0.01 . 2 . . . . 15 LYS HG2 . 15749 1 118 . 1 1 15 15 LYS HG3 H 1 1.31 0.01 . 2 . . . . 15 LYS HG3 . 15749 1 119 . 1 1 15 15 LYS HZ1 H 1 7.50 0.01 . 1 . . . . 15 LYS HZ1 . 15749 1 120 . 1 1 15 15 LYS HZ2 H 1 7.50 0.01 . 1 . . . . 15 LYS HZ2 . 15749 1 121 . 1 1 15 15 LYS HZ3 H 1 7.50 0.01 . 1 . . . . 15 LYS HZ3 . 15749 1 122 . 1 1 16 16 VAL H H 1 8.09 0.01 . 1 . . . . 16 VAL H . 15749 1 123 . 1 1 16 16 VAL HA H 1 4.15 0.01 . 1 . . . . 16 VAL HA . 15749 1 124 . 1 1 16 16 VAL HB H 1 2.01 0.01 . 1 . . . . 16 VAL HB . 15749 1 125 . 1 1 16 16 VAL HG11 H 1 0.83 0.01 . 2 . . . . 16 VAL HG11 . 15749 1 126 . 1 1 16 16 VAL HG12 H 1 0.83 0.01 . 2 . . . . 16 VAL HG12 . 15749 1 127 . 1 1 16 16 VAL HG13 H 1 0.83 0.01 . 2 . . . . 16 VAL HG13 . 15749 1 128 . 1 1 16 16 VAL HG21 H 1 0.83 0.01 . 2 . . . . 16 VAL HG21 . 15749 1 129 . 1 1 16 16 VAL HG22 H 1 0.83 0.01 . 2 . . . . 16 VAL HG22 . 15749 1 130 . 1 1 16 16 VAL HG23 H 1 0.83 0.01 . 2 . . . . 16 VAL HG23 . 15749 1 131 . 1 1 17 17 THR H H 1 8.00 0.01 . 1 . . . . 17 THR H . 15749 1 132 . 1 1 17 17 THR HA H 1 4.27 0.01 . 1 . . . . 17 THR HA . 15749 1 133 . 1 1 17 17 THR HB H 1 4.14 0.01 . 1 . . . . 17 THR HB . 15749 1 134 . 1 1 17 17 THR HG21 H 1 1.06 0.01 . 1 . . . . 17 THR HG21 . 15749 1 135 . 1 1 17 17 THR HG22 H 1 1.06 0.01 . 1 . . . . 17 THR HG22 . 15749 1 136 . 1 1 17 17 THR HG23 H 1 1.06 0.01 . 1 . . . . 17 THR HG23 . 15749 1 137 . 1 1 18 18 LEU H H 1 8.34 0.01 . 1 . . . . 18 LEU H . 15749 1 138 . 1 1 18 18 LEU HA H 1 4.34 0.01 . 1 . . . . 18 LEU HA . 15749 1 139 . 1 1 18 18 LEU HB2 H 1 1.56 0.01 . 2 . . . . 18 LEU HB2 . 15749 1 140 . 1 1 18 18 LEU HB3 H 1 1.56 0.01 . 2 . . . . 18 LEU HB3 . 15749 1 141 . 1 1 18 18 LEU HD11 H 1 0.76 0.01 . 2 . . . . 18 LEU HD11 . 15749 1 142 . 1 1 18 18 LEU HD12 H 1 0.76 0.01 . 2 . . . . 18 LEU HD12 . 15749 1 143 . 1 1 18 18 LEU HD13 H 1 0.76 0.01 . 2 . . . . 18 LEU HD13 . 15749 1 144 . 1 1 18 18 LEU HD21 H 1 0.80 0.01 . 2 . . . . 18 LEU HD21 . 15749 1 145 . 1 1 18 18 LEU HD22 H 1 0.80 0.01 . 2 . . . . 18 LEU HD22 . 15749 1 146 . 1 1 18 18 LEU HD23 H 1 0.80 0.01 . 2 . . . . 18 LEU HD23 . 15749 1 147 . 1 1 18 18 LEU HG H 1 1.49 0.01 . 1 . . . . 18 LEU HG . 15749 1 148 . 1 1 19 19 THR H H 1 8.09 0.01 . 1 . . . . 19 THR H . 15749 1 149 . 1 1 19 19 THR HA H 1 4.17 0.01 . 1 . . . . 19 THR HA . 15749 1 150 . 1 1 19 19 THR HB H 1 4.02 0.01 . 1 . . . . 19 THR HB . 15749 1 151 . 1 1 19 19 THR HG21 H 1 1.06 0.01 . 1 . . . . 19 THR HG21 . 15749 1 152 . 1 1 19 19 THR HG22 H 1 1.06 0.01 . 1 . . . . 19 THR HG22 . 15749 1 153 . 1 1 19 19 THR HG23 H 1 1.06 0.01 . 1 . . . . 19 THR HG23 . 15749 1 154 . 1 1 20 20 ALA H H 1 8.35 0.01 . 1 . . . . 20 ALA H . 15749 1 155 . 1 1 20 20 ALA HA H 1 4.59 0.01 . 1 . . . . 20 ALA HA . 15749 1 156 . 1 1 20 20 ALA HB1 H 1 1.22 0.01 . 1 . . . . 20 ALA HB1 . 15749 1 157 . 1 1 20 20 ALA HB2 H 1 1.22 0.01 . 1 . . . . 20 ALA HB2 . 15749 1 158 . 1 1 20 20 ALA HB3 H 1 1.22 0.01 . 1 . . . . 20 ALA HB3 . 15749 1 159 . 1 1 21 21 PRO HA H 1 4.31 0.01 . 1 . . . . 21 PRO HA . 15749 1 160 . 1 1 21 21 PRO HB2 H 1 2.18 0.01 . 2 . . . . 21 PRO HB2 . 15749 1 161 . 1 1 21 21 PRO HB3 H 1 2.18 0.01 . 2 . . . . 21 PRO HB3 . 15749 1 162 . 1 1 21 21 PRO HD2 H 1 3.55 0.01 . 1 . . . . 21 PRO HD2 . 15749 1 163 . 1 1 21 21 PRO HD3 H 1 3.70 0.01 . 1 . . . . 21 PRO HD3 . 15749 1 164 . 1 1 21 21 PRO HG2 H 1 1.91 0.01 . 2 . . . . 21 PRO HG2 . 15749 1 165 . 1 1 21 21 PRO HG3 H 1 1.91 0.01 . 2 . . . . 21 PRO HG3 . 15749 1 166 . 1 1 22 22 GLY H H 1 8.29 0.01 . 1 . . . . 22 GLY H . 15749 1 167 . 1 1 22 22 GLY HA2 H 1 3.80 0.01 . 2 . . . . 22 GLY HA2 . 15749 1 168 . 1 1 22 22 GLY HA3 H 1 3.80 0.01 . 2 . . . . 22 GLY HA3 . 15749 1 stop_ save_