################################### # 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 16323 _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 DQF-COSY' . . . 16323 1 2 '2D 1H-1H NOESY' . . . 16323 1 3 '2D 1H-1H TOCSY' . . . 16323 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 GLU H H 1 8.55 0.02 . 1 . . . . 1 GLU H . 16323 1 2 . 1 1 1 1 GLU HA H 1 4.48 0.02 . 1 . . . . 1 GLU HA . 16323 1 3 . 1 1 1 1 GLU HB2 H 1 2.64 0.02 . 1 . . . . 1 GLU HB2 . 16323 1 4 . 1 1 1 1 GLU HB3 H 1 2.64 0.02 . 1 . . . . 1 GLU HB3 . 16323 1 5 . 1 1 1 1 GLU HG2 H 1 2.69 0.02 . 1 . . . . 1 GLU HG2 . 16323 1 6 . 1 1 1 1 GLU HG3 H 1 2.69 0.02 . 1 . . . . 1 GLU HG3 . 16323 1 7 . 1 1 2 2 THR H H 1 8.71 0.02 . 1 . . . . 2 THR H . 16323 1 8 . 1 1 2 2 THR HA H 1 4.18 0.02 . 1 . . . . 2 THR HA . 16323 1 9 . 1 1 2 2 THR HB H 1 4.01 0.02 . 1 . . . . 2 THR HB . 16323 1 10 . 1 1 2 2 THR HG21 H 1 1.04 0.02 . 1 . . . . 2 THR HG1 . 16323 1 11 . 1 1 2 2 THR HG22 H 1 1.04 0.02 . 1 . . . . 2 THR HG1 . 16323 1 12 . 1 1 2 2 THR HG23 H 1 1.04 0.02 . 1 . . . . 2 THR HG1 . 16323 1 13 . 1 1 3 3 ASP H H 1 8.62 0.02 . 1 . . . . 3 ASP H . 16323 1 14 . 1 1 3 3 ASP HA H 1 4.48 0.02 . 1 . . . . 3 ASP HA . 16323 1 15 . 1 1 3 3 ASP HB2 H 1 2.69 0.02 . 1 . . . . 3 ASP HB2 . 16323 1 16 . 1 1 3 3 ASP HB3 H 1 2.64 0.02 . 1 . . . . 3 ASP HB3 . 16323 1 17 . 1 1 4 4 GLU H H 1 8.47 0.02 . 1 . . . . 4 GLU H . 16323 1 18 . 1 1 4 4 GLU HA H 1 4.11 0.02 . 1 . . . . 4 GLU HA . 16323 1 19 . 1 1 4 4 GLU HB2 H 1 1.92 0.02 . 1 . . . . 4 GLU HB2 . 16323 1 20 . 1 1 4 4 GLU HB3 H 1 1.82 0.02 . 1 . . . . 4 GLU HB3 . 16323 1 21 . 1 1 4 4 GLU HG2 H 1 2.30 0.02 . 1 . . . . 4 GLU HG2 . 16323 1 22 . 1 1 4 4 GLU HG3 H 1 2.30 0.02 . 1 . . . . 4 GLU HG3 . 16323 1 23 . 1 1 5 5 SER H H 1 8.27 0.02 . 1 . . . . 5 SER H . 16323 1 24 . 1 1 5 5 SER HA H 1 4.14 0.02 . 1 . . . . 5 SER HA . 16323 1 25 . 1 1 5 5 SER HB2 H 1 3.80 0.02 . 1 . . . . 5 SER HB2 . 16323 1 26 . 1 1 5 5 SER HB3 H 1 3.74 0.02 . 1 . . . . 5 SER HB3 . 16323 1 27 . 1 1 6 6 VAL H H 1 7.95 0.02 . 1 . . . . 6 VAL H . 16323 1 28 . 1 1 6 6 VAL HA H 1 3.95 0.02 . 1 . . . . 6 VAL HA . 16323 1 29 . 1 1 6 6 VAL HB H 1 1.94 0.02 . 1 . . . . 6 VAL HB . 16323 1 30 . 1 1 6 6 VAL HG11 H 1 0.72 0.02 . 1 . . . . 6 VAL MG1 . 16323 1 31 . 1 1 6 6 VAL HG12 H 1 0.72 0.02 . 1 . . . . 6 VAL MG1 . 16323 1 32 . 1 1 6 6 VAL HG13 H 1 0.72 0.02 . 1 . . . . 6 VAL MG1 . 16323 1 33 . 1 1 6 6 VAL HG21 H 1 0.72 0.02 . 1 . . . . 6 VAL MG2 . 16323 1 34 . 1 1 6 6 VAL HG22 H 1 0.72 0.02 . 1 . . . . 6 VAL MG2 . 16323 1 35 . 1 1 6 6 VAL HG23 H 1 0.72 0.02 . 1 . . . . 6 VAL MG2 . 16323 1 36 . 1 1 7 7 LEU H H 1 7.93 0.02 . 1 . . . . 7 LEU H . 16323 1 37 . 1 1 7 7 LEU HA H 1 4.00 0.02 . 1 . . . . 7 LEU HA . 16323 1 38 . 1 1 7 7 LEU HB2 H 1 1.68 0.02 . 1 . . . . 7 LEU HB2 . 16323 1 39 . 1 1 7 7 LEU HB3 H 1 1.68 0.02 . 1 . . . . 7 LEU HB3 . 16323 1 40 . 1 1 7 7 LEU HG H 1 0.98 0.02 . 1 . . . . 7 LEU HG . 16323 1 41 . 1 1 8 8 MET H H 1 8.17 0.02 . 1 . . . . 8 MET H . 16323 1 42 . 1 1 8 8 MET HA H 1 4.34 0.02 . 1 . . . . 8 MET HA . 16323 1 43 . 1 1 8 8 MET HB2 H 1 2.58 0.02 . 1 . . . . 8 MET HB2 . 16323 1 44 . 1 1 8 8 MET HB3 H 1 2.56 0.02 . 1 . . . . 8 MET HB3 . 16323 1 45 . 1 1 8 8 MET HG2 H 1 2.65 0.02 . 1 . . . . 8 MET HG2 . 16323 1 46 . 1 1 8 8 MET HG3 H 1 2.63 0.02 . 1 . . . . 8 MET HG3 . 16323 1 47 . 1 1 9 9 ARG H H 1 7.91 0.02 . 1 . . . . 9 ARG H . 16323 1 48 . 1 1 9 9 ARG HA H 1 3.95 0.02 . 1 . . . . 9 ARG HA . 16323 1 49 . 1 1 9 9 ARG HB2 H 1 1.49 0.02 . 1 . . . . 9 ARG HB2 . 16323 1 50 . 1 1 9 9 ARG HB3 H 1 1.49 0.02 . 1 . . . . 9 ARG HB3 . 16323 1 51 . 1 1 9 9 ARG HG2 H 1 1.22 0.02 . 1 . . . . 9 ARG HG2 . 16323 1 52 . 1 1 9 9 ARG HG3 H 1 1.22 0.02 . 1 . . . . 9 ARG HG3 . 16323 1 53 . 1 1 10 10 ARG H H 1 8.04 0.02 . 1 . . . . 10 ARG H . 16323 1 54 . 1 1 10 10 ARG HA H 1 4.17 0.02 . 1 . . . . 10 ARG HA . 16323 1 55 . 1 1 10 10 ARG HB2 H 1 1.69 0.02 . 1 . . . . 10 ARG HB2 . 16323 1 56 . 1 1 10 10 ARG HB3 H 1 1.55 0.02 . 1 . . . . 10 ARG HB3 . 16323 1 57 . 1 1 10 10 ARG HG2 H 1 1.46 0.02 . 1 . . . . 10 ARG HG2 . 16323 1 58 . 1 1 11 11 GLN H H 1 8.33 0.02 . 1 . . . . 11 GLN H . 16323 1 59 . 1 1 11 11 GLN HA H 1 4.58 0.02 . 1 . . . . 11 GLN HA . 16323 1 60 . 1 1 11 11 GLN HB2 H 1 2.60 0.02 . 1 . . . . 11 GLN HB2 . 16323 1 61 . 1 1 11 11 GLN HB3 H 1 2.58 0.02 . 1 . . . . 11 GLN HB3 . 16323 1 62 . 1 1 11 11 GLN HE21 H 1 7.52 0.02 . 1 . . . . 11 GLN HE21 . 16323 1 63 . 1 1 11 11 GLN HE22 H 1 6.81 0.02 . 1 . . . . 11 GLN HE22 . 16323 1 64 . 1 1 11 11 GLN HG2 H 1 2.70 0.02 . 1 . . . . 11 GLN HG2 . 16323 1 65 . 1 1 11 11 GLN HG3 H 1 2.67 0.02 . 1 . . . . 11 GLN HG3 . 16323 1 66 . 1 1 12 12 LYS H H 1 7.93 0.02 . 1 . . . . 12 LYS H . 16323 1 67 . 1 1 12 12 LYS HA H 1 4.31 0.02 . 1 . . . . 12 LYS HA . 16323 1 68 . 1 1 12 12 LYS HB2 H 1 1.68 0.02 . 1 . . . . 12 LYS HB2 . 16323 1 69 . 1 1 12 12 LYS HB3 H 1 1.53 0.02 . 1 . . . . 12 LYS HB3 . 16323 1 70 . 1 1 12 12 LYS HE2 H 1 3.02 0.02 . 1 . . . . 12 LYS HE2 . 16323 1 71 . 1 1 12 12 LYS HG2 H 1 1.43 0.02 . 1 . . . . 12 LYS HG2 . 16323 1 72 . 1 1 13 13 GLN H H 1 8.23 0.02 . 1 . . . . 13 GLN H . 16323 1 73 . 1 1 13 13 GLN HA H 1 4.20 0.02 . 1 . . . . 13 GLN HA . 16323 1 74 . 1 1 13 13 GLN HB2 H 1 1.90 0.02 . 1 . . . . 13 GLN HB2 . 16323 1 75 . 1 1 13 13 GLN HB3 H 1 1.78 0.02 . 1 . . . . 13 GLN HB3 . 16323 1 76 . 1 1 13 13 GLN HE21 H 1 7.48 0.02 . 1 . . . . 13 GLN HE21 . 16323 1 77 . 1 1 13 13 GLN HE22 H 1 6.82 0.02 . 1 . . . . 13 GLN HE22 . 16323 1 78 . 1 1 13 13 GLN HG2 H 1 2.28 0.02 . 1 . . . . 13 GLN HG2 . 16323 1 79 . 1 1 13 13 GLN HG3 H 1 2.28 0.02 . 1 . . . . 13 GLN HG3 . 16323 1 80 . 1 1 14 14 ILE H H 1 8.09 0.02 . 1 . . . . 14 ILE H . 16323 1 81 . 1 1 14 14 ILE HA H 1 3.81 0.02 . 1 . . . . 14 ILE HA . 16323 1 82 . 1 1 14 14 ILE HB H 1 1.60 0.02 . 1 . . . . 14 ILE HB . 16323 1 83 . 1 1 14 14 ILE HG12 H 1 1.49 0.02 . 1 . . . . 14 ILE HG12 . 16323 1 84 . 1 1 14 14 ILE HG13 H 1 1.24 0.02 . 1 . . . . 14 ILE HG13 . 16323 1 85 . 1 1 15 15 ASN H H 1 8.29 0.02 . 1 . . . . 15 ASN H . 16323 1 86 . 1 1 15 15 ASN HA H 1 4.51 0.02 . 1 . . . . 15 ASN HA . 16323 1 87 . 1 1 15 15 ASN HB2 H 1 2.60 0.02 . 1 . . . . 15 ASN HB2 . 16323 1 88 . 1 1 15 15 ASN HB3 H 1 2.50 0.02 . 1 . . . . 15 ASN HB3 . 16323 1 89 . 1 1 15 15 ASN HD21 H 1 7.38 0.02 . 1 . . . . 15 ASN HD21 . 16323 1 90 . 1 1 15 15 ASN HD22 H 1 6.80 0.02 . 1 . . . . 15 ASN HD22 . 16323 1 91 . 1 1 16 16 TYR H H 1 8.15 0.02 . 1 . . . . 16 TYR H . 16323 1 92 . 1 1 16 16 TYR HA H 1 4.28 0.02 . 1 . . . . 16 TYR HA . 16323 1 93 . 1 1 16 16 TYR HB2 H 1 2.93 0.02 . 1 . . . . 16 TYR HB2 . 16323 1 94 . 1 1 16 16 TYR HB3 H 1 2.74 0.02 . 1 . . . . 16 TYR HB3 . 16323 1 95 . 1 1 17 17 GLY H H 1 8.24 0.02 . 1 . . . . 17 GLY H . 16323 1 96 . 1 1 17 17 GLY HA2 H 1 3.68 0.02 . 1 . . . . 17 GLY HA2 . 16323 1 97 . 1 1 17 17 GLY HA3 H 1 3.66 0.02 . 1 . . . . 17 GLY HA3 . 16323 1 98 . 1 1 18 18 LYS H H 1 8.10 0.02 . 1 . . . . 18 LYS H . 16323 1 99 . 1 1 18 18 LYS HA H 1 4.00 0.02 . 1 . . . . 18 LYS HA . 16323 1 100 . 1 1 18 18 LYS HB2 H 1 1.63 0.02 . 1 . . . . 18 LYS HB2 . 16323 1 101 . 1 1 18 18 LYS HB3 H 1 1.61 0.02 . 1 . . . . 18 LYS HB3 . 16323 1 102 . 1 1 18 18 LYS HD2 H 1 1.54 0.02 . 1 . . . . 18 LYS HD2 . 16323 1 103 . 1 1 18 18 LYS HG2 H 1 1.29 0.02 . 1 . . . . 18 LYS HG2 . 16323 1 104 . 1 1 19 19 ASN H H 1 8.34 0.02 . 1 . . . . 19 ASN H . 16323 1 105 . 1 1 19 19 ASN HA H 1 4.60 0.02 . 1 . . . . 19 ASN HA . 16323 1 106 . 1 1 19 19 ASN HB2 H 1 2.69 0.02 . 1 . . . . 19 ASN HB2 . 16323 1 107 . 1 1 19 19 ASN HB3 H 1 2.60 0.02 . 1 . . . . 19 ASN HB3 . 16323 1 108 . 1 1 19 19 ASN HD21 H 1 7.43 0.02 . 1 . . . . 19 ASN HD21 . 16323 1 109 . 1 1 19 19 ASN HD22 H 1 6.77 0.02 . 1 . . . . 19 ASN HD22 . 16323 1 110 . 1 1 20 20 THR H H 1 7.93 0.02 . 1 . . . . 20 THR H . 16323 1 111 . 1 1 20 20 THR HA H 1 4.11 0.02 . 1 . . . . 20 THR HA . 16323 1 112 . 1 1 20 20 THR HB H 1 4.05 0.02 . 1 . . . . 20 THR HB . 16323 1 113 . 1 1 20 20 THR HG21 H 1 1.00 0.02 . 1 . . . . 20 THR HG1 . 16323 1 114 . 1 1 20 20 THR HG22 H 1 1.00 0.02 . 1 . . . . 20 THR HG1 . 16323 1 115 . 1 1 20 20 THR HG23 H 1 1.00 0.02 . 1 . . . . 20 THR HG1 . 16323 1 116 . 1 1 21 21 ILE H H 1 8.09 0.02 . 1 . . . . 21 ILE H . 16323 1 117 . 1 1 21 21 ILE HA H 1 3.85 0.02 . 1 . . . . 21 ILE HA . 16323 1 118 . 1 1 21 21 ILE HB H 1 1.63 0.02 . 1 . . . . 21 ILE HB . 16323 1 119 . 1 1 21 21 ILE HG12 H 1 1.54 0.02 . 1 . . . . 21 ILE HG12 . 16323 1 120 . 1 1 21 21 ILE HG13 H 1 1.54 0.02 . 1 . . . . 21 ILE HG13 . 16323 1 121 . 1 1 22 22 ALA H H 1 8.16 0.02 . 1 . . . . 22 ALA H . 16323 1 122 . 1 1 22 22 ALA HA H 1 4.03 0.02 . 1 . . . . 22 ALA HA . 16323 1 123 . 1 1 22 22 ALA HB1 H 1 1.12 0.02 . 1 . . . . 22 ALA MB . 16323 1 124 . 1 1 22 22 ALA HB2 H 1 1.12 0.02 . 1 . . . . 22 ALA MB . 16323 1 125 . 1 1 22 22 ALA HB3 H 1 1.12 0.02 . 1 . . . . 22 ALA MB . 16323 1 126 . 1 1 23 23 TYR H H 1 8.24 0.02 . 1 . . . . 23 TYR H . 16323 1 127 . 1 1 23 23 TYR HA H 1 4.35 0.02 . 1 . . . . 23 TYR HA . 16323 1 128 . 1 1 23 23 TYR HB2 H 1 2.62 0.02 . 1 . . . . 23 TYR HB2 . 16323 1 129 . 1 1 23 23 TYR HB3 H 1 2.58 0.02 . 1 . . . . 23 TYR HB3 . 16323 1 130 . 1 1 24 24 ASP H H 1 7.93 0.02 . 1 . . . . 24 ASP H . 16323 1 131 . 1 1 24 24 ASP HA H 1 4.33 0.02 . 1 . . . . 24 ASP HA . 16323 1 132 . 1 1 24 24 ASP HB2 H 1 2.80 0.02 . 1 . . . . 24 ASP HB2 . 16323 1 133 . 1 1 24 24 ASP HB3 H 1 2.69 0.02 . 1 . . . . 24 ASP HB3 . 16323 1 134 . 1 1 25 25 ARG H H 1 8.00 0.02 . 1 . . . . 25 ARG H . 16323 1 135 . 1 1 25 25 ARG HA H 1 4.02 0.02 . 1 . . . . 25 ARG HA . 16323 1 136 . 1 1 25 25 ARG HB2 H 1 1.70 0.02 . 1 . . . . 25 ARG HB2 . 16323 1 137 . 1 1 25 25 ARG HB3 H 1 1.62 0.02 . 1 . . . . 25 ARG HB3 . 16323 1 138 . 1 1 25 25 ARG HG2 H 1 1.55 0.02 . 1 . . . . 25 ARG HG2 . 16323 1 139 . 1 1 25 25 ARG HG3 H 1 1.46 0.02 . 1 . . . . 25 ARG HG3 . 16323 1 140 . 1 1 26 26 TYR H H 1 7.93 0.02 . 1 . . . . 26 TYR H . 16323 1 141 . 1 1 26 26 TYR HA H 1 4.32 0.02 . 1 . . . . 26 TYR HA . 16323 1 142 . 1 1 26 26 TYR HB2 H 1 2.85 0.02 . 1 . . . . 26 TYR HB2 . 16323 1 143 . 1 1 26 26 TYR HB3 H 1 2.75 0.02 . 1 . . . . 26 TYR HB3 . 16323 1 144 . 1 1 27 27 ILE H H 1 7.72 0.02 . 1 . . . . 27 ILE H . 16323 1 145 . 1 1 27 27 ILE HA H 1 3.82 0.02 . 1 . . . . 27 ILE HA . 16323 1 146 . 1 1 27 27 ILE HB H 1 1.56 0.02 . 1 . . . . 27 ILE HB . 16323 1 147 . 1 1 27 27 ILE HG12 H 1 1.19 0.02 . 1 . . . . 27 ILE HG12 . 16323 1 148 . 1 1 27 27 ILE HG13 H 1 0.92 0.02 . 1 . . . . 27 ILE HG13 . 16323 1 149 . 1 1 28 28 LYS H H 1 8.02 0.02 . 1 . . . . 28 LYS H . 16323 1 150 . 1 1 28 28 LYS HA H 1 3.81 0.02 . 1 . . . . 28 LYS HA . 16323 1 151 . 1 1 28 28 LYS HB2 H 1 1.88 0.02 . 1 . . . . 28 LYS HB2 . 16323 1 152 . 1 1 28 28 LYS HB3 H 1 1.90 0.02 . 1 . . . . 28 LYS HB3 . 16323 1 153 . 1 1 28 28 LYS HE2 H 1 3.02 0.02 . 1 . . . . 28 LYS HE2 . 16323 1 154 . 1 1 28 28 LYS HE3 H 1 3.02 0.02 . 1 . . . . 28 LYS HE3 . 16323 1 155 . 1 1 29 29 GLU H H 1 8.02 0.02 . 1 . . . . 29 GLU H . 16323 1 156 . 1 1 29 29 GLU HA H 1 4.17 0.02 . 1 . . . . 29 GLU HA . 16323 1 157 . 1 1 29 29 GLU HB2 H 1 1.88 0.02 . 1 . . . . 29 GLU HB2 . 16323 1 158 . 1 1 29 29 GLU HB3 H 1 1.90 0.02 . 1 . . . . 29 GLU HB3 . 16323 1 159 . 1 1 29 29 GLU HG2 H 1 2.36 0.02 . 1 . . . . 29 GLU HG2 . 16323 1 160 . 1 1 29 29 GLU HG3 H 1 2.46 0.02 . 1 . . . . 29 GLU HG3 . 16323 1 161 . 1 1 30 30 VAL H H 1 6.96 0.02 . 1 . . . . 30 VAL H . 16323 1 162 . 1 1 30 30 VAL HA H 1 3.96 0.02 . 1 . . . . 30 VAL HA . 16323 1 163 . 1 1 30 30 VAL HB H 1 2.91 0.02 . 1 . . . . 30 VAL HB . 16323 1 164 . 1 1 30 30 VAL HG11 H 1 1.49 0.02 . 1 . . . . 30 VAL MG1 . 16323 1 165 . 1 1 30 30 VAL HG12 H 1 1.49 0.02 . 1 . . . . 30 VAL MG1 . 16323 1 166 . 1 1 30 30 VAL HG13 H 1 1.49 0.02 . 1 . . . . 30 VAL MG1 . 16323 1 167 . 1 1 30 30 VAL HG21 H 1 1.22 0.02 . 1 . . . . 30 VAL MG2 . 16323 1 168 . 1 1 30 30 VAL HG22 H 1 1.22 0.02 . 1 . . . . 30 VAL MG2 . 16323 1 169 . 1 1 30 30 VAL HG23 H 1 1.22 0.02 . 1 . . . . 30 VAL MG2 . 16323 1 stop_ save_