################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 1551 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 1551 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 3.88 . . 1 . . . . . . . . 1551 1 2 . 1 1 1 1 SER HB2 H 1 3.57 . . 2 . . . . . . . . 1551 1 3 . 1 1 1 1 SER HB3 H 1 3.4 . . 2 . . . . . . . . 1551 1 4 . 1 1 2 2 LYS H H 1 9.15 . . 1 . . . . . . . . 1551 1 5 . 1 1 2 2 LYS HA H 1 4.58 . . 1 . . . . . . . . 1551 1 6 . 1 1 2 2 LYS HB2 H 1 1.55 . . 2 . . . . . . . . 1551 1 7 . 1 1 2 2 LYS HB3 H 1 1.29 . . 2 . . . . . . . . 1551 1 8 . 1 1 2 2 LYS HG2 H 1 1.12 . . 2 . . . . . . . . 1551 1 9 . 1 1 2 2 LYS HG3 H 1 1 . . 2 . . . . . . . . 1551 1 10 . 1 1 2 2 LYS HD2 H 1 1.38 . . 2 . . . . . . . . 1551 1 11 . 1 1 2 2 LYS HD3 H 1 1.25 . . 2 . . . . . . . . 1551 1 12 . 1 1 2 2 LYS HE2 H 1 2.65 . . 2 . . . . . . . . 1551 1 13 . 1 1 2 2 LYS HE3 H 1 2.82 . . 2 . . . . . . . . 1551 1 14 . 1 1 3 3 VAL H H 1 8.48 . . 1 . . . . . . . . 1551 1 15 . 1 1 3 3 VAL HA H 1 4.18 . . 1 . . . . . . . . 1551 1 16 . 1 1 3 3 VAL HB H 1 1.38 . . 1 . . . . . . . . 1551 1 17 . 1 1 3 3 VAL HG11 H 1 .04 . . 2 . . . . . . . . 1551 1 18 . 1 1 3 3 VAL HG12 H 1 .04 . . 2 . . . . . . . . 1551 1 19 . 1 1 3 3 VAL HG13 H 1 .04 . . 2 . . . . . . . . 1551 1 20 . 1 1 3 3 VAL HG21 H 1 .45 . . 2 . . . . . . . . 1551 1 21 . 1 1 3 3 VAL HG22 H 1 .45 . . 2 . . . . . . . . 1551 1 22 . 1 1 3 3 VAL HG23 H 1 .45 . . 2 . . . . . . . . 1551 1 23 . 1 1 4 4 VAL H H 1 8.5 . . 1 . . . . . . . . 1551 1 24 . 1 1 4 4 VAL HA H 1 4.4 . . 1 . . . . . . . . 1551 1 25 . 1 1 4 4 VAL HB H 1 1.78 . . 1 . . . . . . . . 1551 1 26 . 1 1 4 4 VAL HG11 H 1 .495 . . 2 . . . . . . . . 1551 1 27 . 1 1 4 4 VAL HG12 H 1 .495 . . 2 . . . . . . . . 1551 1 28 . 1 1 4 4 VAL HG13 H 1 .495 . . 2 . . . . . . . . 1551 1 29 . 1 1 4 4 VAL HG21 H 1 .53 . . 2 . . . . . . . . 1551 1 30 . 1 1 4 4 VAL HG22 H 1 .53 . . 2 . . . . . . . . 1551 1 31 . 1 1 4 4 VAL HG23 H 1 .53 . . 2 . . . . . . . . 1551 1 32 . 1 1 5 5 TYR H H 1 8.84 . . 1 . . . . . . . . 1551 1 33 . 1 1 5 5 TYR HA H 1 4.72 . . 1 . . . . . . . . 1551 1 34 . 1 1 5 5 TYR HB2 H 1 2.72 . . 2 . . . . . . . . 1551 1 35 . 1 1 5 5 TYR HB3 H 1 2.23 . . 2 . . . . . . . . 1551 1 36 . 1 1 5 5 TYR HD1 H 1 6.48 . . 1 . . . . . . . . 1551 1 37 . 1 1 5 5 TYR HD2 H 1 6.48 . . 1 . . . . . . . . 1551 1 38 . 1 1 5 5 TYR HE1 H 1 6.05 . . 1 . . . . . . . . 1551 1 39 . 1 1 5 5 TYR HE2 H 1 6.05 . . 1 . . . . . . . . 1551 1 40 . 1 1 5 5 TYR HH H 1 8.02 . . 1 . . . . . . . . 1551 1 41 . 1 1 6 6 VAL H H 1 9.5 . . 1 . . . . . . . . 1551 1 42 . 1 1 6 6 VAL HA H 1 4.68 . . 1 . . . . . . . . 1551 1 43 . 1 1 6 6 VAL HB H 1 2.18 . . 1 . . . . . . . . 1551 1 44 . 1 1 6 6 VAL HG11 H 1 .56 . . 2 . . . . . . . . 1551 1 45 . 1 1 6 6 VAL HG12 H 1 .56 . . 2 . . . . . . . . 1551 1 46 . 1 1 6 6 VAL HG13 H 1 .56 . . 2 . . . . . . . . 1551 1 47 . 1 1 6 6 VAL HG21 H 1 .715 . . 2 . . . . . . . . 1551 1 48 . 1 1 6 6 VAL HG22 H 1 .715 . . 2 . . . . . . . . 1551 1 49 . 1 1 6 6 VAL HG23 H 1 .715 . . 2 . . . . . . . . 1551 1 50 . 1 1 14 14 GLN H H 1 8.55 . . 1 . . . . . . . . 1551 1 51 . 1 1 14 14 GLN HA H 1 5.095 . . 1 . . . . . . . . 1551 1 52 . 1 1 14 14 GLN HB2 H 1 1.68 . . 1 . . . . . . . . 1551 1 53 . 1 1 14 14 GLN HB3 H 1 1.68 . . 1 . . . . . . . . 1551 1 54 . 1 1 14 14 GLN HG2 H 1 1.82 . . 2 . . . . . . . . 1551 1 55 . 1 1 14 14 GLN HG3 H 1 1.97 . . 2 . . . . . . . . 1551 1 56 . 1 1 15 15 LEU H H 1 9.19 . . 1 . . . . . . . . 1551 1 57 . 1 1 15 15 LEU HA H 1 4.54 . . 1 . . . . . . . . 1551 1 58 . 1 1 15 15 LEU HB2 H 1 1.23 . . 2 . . . . . . . . 1551 1 59 . 1 1 15 15 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 1551 1 60 . 1 1 15 15 LEU HG H 1 1.31 . . 1 . . . . . . . . 1551 1 61 . 1 1 15 15 LEU HD11 H 1 .52 . . 2 . . . . . . . . 1551 1 62 . 1 1 15 15 LEU HD12 H 1 .52 . . 2 . . . . . . . . 1551 1 63 . 1 1 15 15 LEU HD13 H 1 .52 . . 2 . . . . . . . . 1551 1 64 . 1 1 15 15 LEU HD21 H 1 .6 . . 2 . . . . . . . . 1551 1 65 . 1 1 15 15 LEU HD22 H 1 .6 . . 2 . . . . . . . . 1551 1 66 . 1 1 15 15 LEU HD23 H 1 .6 . . 2 . . . . . . . . 1551 1 67 . 1 1 16 16 ASP H H 1 8.19 . . 1 . . . . . . . . 1551 1 68 . 1 1 16 16 ASP HA H 1 4.71 . . 1 . . . . . . . . 1551 1 69 . 1 1 16 16 ASP HB2 H 1 2.14 . . 2 . . . . . . . . 1551 1 70 . 1 1 16 16 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 1551 1 71 . 1 1 17 17 VAL H H 1 9 . . 1 . . . . . . . . 1551 1 72 . 1 1 17 17 VAL HA H 1 3.81 . . 1 . . . . . . . . 1551 1 73 . 1 1 17 17 VAL HB H 1 1.58 . . 1 . . . . . . . . 1551 1 74 . 1 1 17 17 VAL HG11 H 1 .58 . . 2 . . . . . . . . 1551 1 75 . 1 1 17 17 VAL HG12 H 1 .58 . . 2 . . . . . . . . 1551 1 76 . 1 1 17 17 VAL HG13 H 1 .58 . . 2 . . . . . . . . 1551 1 77 . 1 1 17 17 VAL HG21 H 1 .66 . . 2 . . . . . . . . 1551 1 78 . 1 1 17 17 VAL HG22 H 1 .66 . . 2 . . . . . . . . 1551 1 79 . 1 1 17 17 VAL HG23 H 1 .66 . . 2 . . . . . . . . 1551 1 80 . 1 1 18 18 ALA H H 1 8.4 . . 1 . . . . . . . . 1551 1 81 . 1 1 18 18 ALA HA H 1 3.92 . . 1 . . . . . . . . 1551 1 82 . 1 1 18 18 ALA HB1 H 1 1.1 . . 1 . . . . . . . . 1551 1 83 . 1 1 18 18 ALA HB2 H 1 1.1 . . 1 . . . . . . . . 1551 1 84 . 1 1 18 18 ALA HB3 H 1 1.1 . . 1 . . . . . . . . 1551 1 85 . 1 1 50 50 VAL H H 1 8.19 . . 1 . . . . . . . . 1551 1 86 . 1 1 50 50 VAL HA H 1 4.115 . . 1 . . . . . . . . 1551 1 87 . 1 1 51 51 TYR H H 1 8.945 . . 1 . . . . . . . . 1551 1 88 . 1 1 51 51 TYR HA H 1 4.96 . . 1 . . . . . . . . 1551 1 89 . 1 1 51 51 TYR HB2 H 1 2.62 . . 2 . . . . . . . . 1551 1 90 . 1 1 51 51 TYR HB3 H 1 2.69 . . 2 . . . . . . . . 1551 1 91 . 1 1 51 51 TYR HD1 H 1 6.63 . . 1 . . . . . . . . 1551 1 92 . 1 1 51 51 TYR HD2 H 1 6.63 . . 1 . . . . . . . . 1551 1 93 . 1 1 51 51 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 1551 1 94 . 1 1 51 51 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 1551 1 95 . 1 1 52 52 VAL H H 1 8.615 . . 1 . . . . . . . . 1551 1 96 . 1 1 52 52 VAL HA H 1 3.63 . . 1 . . . . . . . . 1551 1 97 . 1 1 52 52 VAL HB H 1 1.89 . . 1 . . . . . . . . 1551 1 98 . 1 1 52 52 VAL HG11 H 1 .66 . . 2 . . . . . . . . 1551 1 99 . 1 1 52 52 VAL HG12 H 1 .66 . . 2 . . . . . . . . 1551 1 100 . 1 1 52 52 VAL HG13 H 1 .66 . . 2 . . . . . . . . 1551 1 101 . 1 1 52 52 VAL HG21 H 1 .81 . . 2 . . . . . . . . 1551 1 102 . 1 1 52 52 VAL HG22 H 1 .81 . . 2 . . . . . . . . 1551 1 103 . 1 1 52 52 VAL HG23 H 1 .81 . . 2 . . . . . . . . 1551 1 104 . 1 1 53 53 ASN H H 1 8.26 . . 1 . . . . . . . . 1551 1 105 . 1 1 53 53 ASN HA H 1 4.28 . . 1 . . . . . . . . 1551 1 106 . 1 1 53 53 ASN HB2 H 1 2.57 . . 2 . . . . . . . . 1551 1 107 . 1 1 53 53 ASN HB3 H 1 2.79 . . 2 . . . . . . . . 1551 1 108 . 1 1 53 53 ASN HD21 H 1 8.04 . . 1 . . . . . . . . 1551 1 109 . 1 1 53 53 ASN HD22 H 1 8.04 . . 1 . . . . . . . . 1551 1 110 . 1 1 56 56 PHE H H 1 8.66 . . 1 . . . . . . . . 1551 1 111 . 1 1 56 56 PHE HA H 1 4.26 . . 1 . . . . . . . . 1551 1 112 . 1 1 56 56 PHE HB2 H 1 2.98 . . 2 . . . . . . . . 1551 1 113 . 1 1 56 56 PHE HB3 H 1 2.57 . . 2 . . . . . . . . 1551 1 114 . 1 1 56 56 PHE HD1 H 1 6.96 . . 1 . . . . . . . . 1551 1 115 . 1 1 56 56 PHE HD2 H 1 6.96 . . 1 . . . . . . . . 1551 1 116 . 1 1 56 56 PHE HE1 H 1 7.1 . . 1 . . . . . . . . 1551 1 117 . 1 1 56 56 PHE HE2 H 1 7.1 . . 1 . . . . . . . . 1551 1 118 . 1 1 56 56 PHE HZ H 1 7 . . 1 . . . . . . . . 1551 1 119 . 1 1 76 76 ALA H H 1 7.62 . . 1 . . . . . . . . 1551 1 120 . 1 1 76 76 ALA HA H 1 4.38 . . 1 . . . . . . . . 1551 1 121 . 1 1 76 76 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 1551 1 122 . 1 1 76 76 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 1551 1 123 . 1 1 76 76 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 1551 1 124 . 1 1 77 77 GLU H H 1 7.91 . . 1 . . . . . . . . 1551 1 125 . 1 1 77 77 GLU HA H 1 3.71 . . 1 . . . . . . . . 1551 1 126 . 1 1 77 77 GLU HB2 H 1 1.58 . . 2 . . . . . . . . 1551 1 127 . 1 1 77 77 GLU HB3 H 1 1.81 . . 2 . . . . . . . . 1551 1 128 . 1 1 77 77 GLU HG2 H 1 2.09 . . 2 . . . . . . . . 1551 1 129 . 1 1 77 77 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 1551 1 130 . 1 1 78 78 LEU H H 1 8.49 . . 1 . . . . . . . . 1551 1 131 . 1 1 78 78 LEU HA H 1 4.41 . . 1 . . . . . . . . 1551 1 132 . 1 1 78 78 LEU HB2 H 1 1.58 . . 2 . . . . . . . . 1551 1 133 . 1 1 78 78 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 1551 1 134 . 1 1 78 78 LEU HG H 1 1.17 . . 1 . . . . . . . . 1551 1 135 . 1 1 78 78 LEU HD11 H 1 .67 . . 2 . . . . . . . . 1551 1 136 . 1 1 78 78 LEU HD12 H 1 .67 . . 2 . . . . . . . . 1551 1 137 . 1 1 78 78 LEU HD13 H 1 .67 . . 2 . . . . . . . . 1551 1 138 . 1 1 78 78 LEU HD21 H 1 .82 . . 2 . . . . . . . . 1551 1 139 . 1 1 78 78 LEU HD22 H 1 .82 . . 2 . . . . . . . . 1551 1 140 . 1 1 78 78 LEU HD23 H 1 .82 . . 2 . . . . . . . . 1551 1 141 . 1 1 79 79 LYS H H 1 9.71 . . 1 . . . . . . . . 1551 1 142 . 1 1 79 79 LYS HA H 1 4.8 . . 1 . . . . . . . . 1551 1 143 . 1 1 79 79 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 1551 1 144 . 1 1 79 79 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 1551 1 145 . 1 1 79 79 LYS HG2 H 1 .93 . . 2 . . . . . . . . 1551 1 146 . 1 1 79 79 LYS HG3 H 1 1.07 . . 2 . . . . . . . . 1551 1 147 . 1 1 79 79 LYS HD2 H 1 1.81 . . 2 . . . . . . . . 1551 1 148 . 1 1 79 79 LYS HD3 H 1 1.95 . . 2 . . . . . . . . 1551 1 149 . 1 1 79 79 LYS HE2 H 1 2.28 . . 1 . . . . . . . . 1551 1 150 . 1 1 79 79 LYS HE3 H 1 2.28 . . 1 . . . . . . . . 1551 1 151 . 1 1 80 80 PRO HA H 1 4.24 . . 1 . . . . . . . . 1551 1 152 . 1 1 80 80 PRO HB2 H 1 1.76 . . 2 . . . . . . . . 1551 1 153 . 1 1 80 80 PRO HB3 H 1 2.28 . . 2 . . . . . . . . 1551 1 154 . 1 1 80 80 PRO HG2 H 1 1.83 . . 2 . . . . . . . . 1551 1 155 . 1 1 80 80 PRO HG3 H 1 2.14 . . 2 . . . . . . . . 1551 1 156 . 1 1 80 80 PRO HD2 H 1 3.7 . . 2 . . . . . . . . 1551 1 157 . 1 1 80 80 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 1551 1 158 . 1 1 81 81 ASN H H 1 8.62 . . 1 . . . . . . . . 1551 1 159 . 1 1 81 81 ASN HA H 1 4.68 . . 1 . . . . . . . . 1551 1 160 . 1 1 81 81 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 1551 1 161 . 1 1 81 81 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 1551 1 162 . 1 1 81 81 ASN HD21 H 1 6.545 . . 2 . . . . . . . . 1551 1 163 . 1 1 81 81 ASN HD22 H 1 7.45 . . 2 . . . . . . . . 1551 1 164 . 1 1 82 82 SER H H 1 7.985 . . 1 . . . . . . . . 1551 1 165 . 1 1 82 82 SER HA H 1 5.03 . . 1 . . . . . . . . 1551 1 166 . 1 1 82 82 SER HB2 H 1 3.95 . . 2 . . . . . . . . 1551 1 167 . 1 1 82 82 SER HB3 H 1 4 . . 2 . . . . . . . . 1551 1 168 . 1 1 82 82 SER HG H 1 10.095 . . 1 . . . . . . . . 1551 1 169 . 1 1 83 83 ARG H H 1 9.375 . . 1 . . . . . . . . 1551 1 170 . 1 1 83 83 ARG HA H 1 4.65 . . 1 . . . . . . . . 1551 1 171 . 1 1 83 83 ARG HB2 H 1 1.02 . . 2 . . . . . . . . 1551 1 172 . 1 1 83 83 ARG HB3 H 1 1.05 . . 2 . . . . . . . . 1551 1 173 . 1 1 83 83 ARG HG2 H 1 1.22 . . 2 . . . . . . . . 1551 1 174 . 1 1 83 83 ARG HG3 H 1 1.56 . . 2 . . . . . . . . 1551 1 175 . 1 1 83 83 ARG HD2 H 1 3.08 . . 2 . . . . . . . . 1551 1 176 . 1 1 83 83 ARG HD3 H 1 3.39 . . 2 . . . . . . . . 1551 1 177 . 1 1 83 83 ARG HE H 1 10.29 . . 1 . . . . . . . . 1551 1 178 . 1 1 96 96 GLY H H 1 9.64 . . 1 . . . . . . . . 1551 1 179 . 1 1 96 96 GLY HA2 H 1 2.82 . . 2 . . . . . . . . 1551 1 180 . 1 1 96 96 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 1551 1 181 . 1 1 97 97 ILE H H 1 7.77 . . 1 . . . . . . . . 1551 1 182 . 1 1 97 97 ILE HA H 1 1.03 . . 1 . . . . . . . . 1551 1 183 . 1 1 97 97 ILE HB H 1 .46 . . 1 . . . . . . . . 1551 1 184 . 1 1 97 97 ILE HG12 H 1 .64 . . 2 . . . . . . . . 1551 1 185 . 1 1 97 97 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 1551 1 186 . 1 1 97 97 ILE HG21 H 1 1.1 . . 1 . . . . . . . . 1551 1 187 . 1 1 97 97 ILE HG22 H 1 1.1 . . 1 . . . . . . . . 1551 1 188 . 1 1 97 97 ILE HG23 H 1 1.1 . . 1 . . . . . . . . 1551 1 189 . 1 1 97 97 ILE HD11 H 1 .36 . . 1 . . . . . . . . 1551 1 190 . 1 1 97 97 ILE HD12 H 1 .36 . . 1 . . . . . . . . 1551 1 191 . 1 1 97 97 ILE HD13 H 1 .36 . . 1 . . . . . . . . 1551 1 192 . 1 1 98 98 VAL H H 1 4.88 . . 1 . . . . . . . . 1551 1 193 . 1 1 98 98 VAL HA H 1 4.48 . . 1 . . . . . . . . 1551 1 194 . 1 1 98 98 VAL HB H 1 1.39 . . 1 . . . . . . . . 1551 1 195 . 1 1 98 98 VAL HG11 H 1 .61 . . 2 . . . . . . . . 1551 1 196 . 1 1 98 98 VAL HG12 H 1 .61 . . 2 . . . . . . . . 1551 1 197 . 1 1 98 98 VAL HG13 H 1 .61 . . 2 . . . . . . . . 1551 1 198 . 1 1 98 98 VAL HG21 H 1 .75 . . 2 . . . . . . . . 1551 1 199 . 1 1 98 98 VAL HG22 H 1 .75 . . 2 . . . . . . . . 1551 1 200 . 1 1 98 98 VAL HG23 H 1 .75 . . 2 . . . . . . . . 1551 1 201 . 1 1 99 99 VAL H H 1 8.59 . . 1 . . . . . . . . 1551 1 202 . 1 1 99 99 VAL HA H 1 4.75 . . 1 . . . . . . . . 1551 1 203 . 1 1 99 99 VAL HB H 1 1.48 . . 1 . . . . . . . . 1551 1 204 . 1 1 99 99 VAL HG11 H 1 .3 . . 2 . . . . . . . . 1551 1 205 . 1 1 99 99 VAL HG12 H 1 .3 . . 2 . . . . . . . . 1551 1 206 . 1 1 99 99 VAL HG13 H 1 .3 . . 2 . . . . . . . . 1551 1 207 . 1 1 99 99 VAL HG21 H 1 .36 . . 2 . . . . . . . . 1551 1 208 . 1 1 99 99 VAL HG22 H 1 .36 . . 2 . . . . . . . . 1551 1 209 . 1 1 99 99 VAL HG23 H 1 .36 . . 2 . . . . . . . . 1551 1 210 . 1 1 100 100 ASP H H 1 8.825 . . 1 . . . . . . . . 1551 1 211 . 1 1 100 100 ASP HA H 1 5.28 . . 1 . . . . . . . . 1551 1 212 . 1 1 100 100 ASP HB2 H 1 2.5 . . 1 . . . . . . . . 1551 1 213 . 1 1 100 100 ASP HB3 H 1 2.5 . . 1 . . . . . . . . 1551 1 214 . 1 1 101 101 VAL H H 1 8.96 . . 1 . . . . . . . . 1551 1 215 . 1 1 101 101 VAL HA H 1 4.23 . . 1 . . . . . . . . 1551 1 216 . 1 1 101 101 VAL HB H 1 1.88 . . 1 . . . . . . . . 1551 1 217 . 1 1 101 101 VAL HG11 H 1 .58 . . 2 . . . . . . . . 1551 1 218 . 1 1 101 101 VAL HG12 H 1 .58 . . 2 . . . . . . . . 1551 1 219 . 1 1 101 101 VAL HG13 H 1 .58 . . 2 . . . . . . . . 1551 1 220 . 1 1 101 101 VAL HG21 H 1 .72 . . 2 . . . . . . . . 1551 1 221 . 1 1 101 101 VAL HG22 H 1 .72 . . 2 . . . . . . . . 1551 1 222 . 1 1 101 101 VAL HG23 H 1 .72 . . 2 . . . . . . . . 1551 1 stop_ save_