################################### # 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 6728 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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_1 . 6728 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 24 24 LEU HD11 H 1 1.0180 0.02 . 2 . . . . . . . . 6728 1 2 . 1 1 24 24 LEU HD12 H 1 1.0180 0.02 . 2 . . . . . . . . 6728 1 3 . 1 1 24 24 LEU HD13 H 1 1.0180 0.02 . 2 . . . . . . . . 6728 1 4 . 1 1 24 24 LEU HD21 H 1 0.5250 0.02 . 2 . . . . . . . . 6728 1 5 . 1 1 24 24 LEU HD22 H 1 0.5250 0.02 . 2 . . . . . . . . 6728 1 6 . 1 1 24 24 LEU HD23 H 1 0.5250 0.02 . 2 . . . . . . . . 6728 1 7 . 1 1 24 24 LEU CD1 C 13 22.8870 0.20 . 1 . . . . . . . . 6728 1 8 . 1 1 24 24 LEU CD2 C 13 25.5340 0.20 . 1 . . . . . . . . 6728 1 9 . 1 1 28 28 ALA HB1 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 10 . 1 1 28 28 ALA HB2 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 11 . 1 1 28 28 ALA HB3 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 12 . 1 1 28 28 ALA CB C 13 19.1800 0.20 . 1 . . . . . . . . 6728 1 13 . 1 1 29 29 ALA HB1 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 14 . 1 1 29 29 ALA HB2 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 15 . 1 1 29 29 ALA HB3 H 1 1.6900 0.02 . 1 . . . . . . . . 6728 1 16 . 1 1 32 32 ALA HB1 H 1 1.6280 0.02 . 1 . . . . . . . . 6728 1 17 . 1 1 32 32 ALA HB2 H 1 1.6280 0.02 . 1 . . . . . . . . 6728 1 18 . 1 1 32 32 ALA HB3 H 1 1.6280 0.02 . 1 . . . . . . . . 6728 1 19 . 1 1 32 32 ALA CB C 13 18.2980 0.20 . 1 . . . . . . . . 6728 1 20 . 1 1 36 36 LEU HD11 H 1 1.0230 0.02 . 2 . . . . . . . . 6728 1 21 . 1 1 36 36 LEU HD12 H 1 1.0230 0.02 . 2 . . . . . . . . 6728 1 22 . 1 1 36 36 LEU HD13 H 1 1.0230 0.02 . 2 . . . . . . . . 6728 1 23 . 1 1 36 36 LEU HD21 H 1 0.9850 0.02 . 2 . . . . . . . . 6728 1 24 . 1 1 36 36 LEU HD22 H 1 0.9850 0.02 . 2 . . . . . . . . 6728 1 25 . 1 1 36 36 LEU HD23 H 1 0.9850 0.02 . 2 . . . . . . . . 6728 1 26 . 1 1 36 36 LEU CD1 C 13 25.3580 0.20 . 1 . . . . . . . . 6728 1 27 . 1 1 36 36 LEU CD2 C 13 24.2990 0.20 . 1 . . . . . . . . 6728 1 28 . 1 1 38 38 ILE HD11 H 1 0.9770 0.02 . 1 . . . . . . . . 6728 1 29 . 1 1 38 38 ILE HD12 H 1 0.9770 0.02 . 1 . . . . . . . . 6728 1 30 . 1 1 38 38 ILE HD13 H 1 0.9770 0.02 . 1 . . . . . . . . 6728 1 31 . 1 1 38 38 ILE CD1 C 13 13.1800 0.20 . 1 . . . . . . . . 6728 1 32 . 1 1 40 40 LEU HD11 H 1 0.7590 0.02 . 2 . . . . . . . . 6728 1 33 . 1 1 40 40 LEU HD12 H 1 0.7590 0.02 . 2 . . . . . . . . 6728 1 34 . 1 1 40 40 LEU HD13 H 1 0.7590 0.02 . 2 . . . . . . . . 6728 1 35 . 1 1 40 40 LEU HD21 H 1 0.8200 0.02 . 2 . . . . . . . . 6728 1 36 . 1 1 40 40 LEU HD22 H 1 0.8200 0.02 . 2 . . . . . . . . 6728 1 37 . 1 1 40 40 LEU HD23 H 1 0.8200 0.02 . 2 . . . . . . . . 6728 1 38 . 1 1 40 40 LEU CD1 C 13 22.5200 0.20 . 1 . . . . . . . . 6728 1 39 . 1 1 40 40 LEU CD2 C 13 25.8000 0.20 . 1 . . . . . . . . 6728 1 40 . 1 1 41 41 LEU HD11 H 1 1.0490 0.02 . 2 . . . . . . . . 6728 1 41 . 1 1 41 41 LEU HD12 H 1 1.0490 0.02 . 2 . . . . . . . . 6728 1 42 . 1 1 41 41 LEU HD13 H 1 1.0490 0.02 . 2 . . . . . . . . 6728 1 43 . 1 1 41 41 LEU CD1 C 13 22.7090 0.20 . 1 . . . . . . . . 6728 1 44 . 1 1 47 47 ALA HB1 H 1 1.4410 0.02 . 1 . . . . . . . . 6728 1 45 . 1 1 47 47 ALA HB2 H 1 1.4410 0.02 . 1 . . . . . . . . 6728 1 46 . 1 1 47 47 ALA HB3 H 1 1.4410 0.02 . 1 . . . . . . . . 6728 1 47 . 1 1 47 47 ALA CB C 13 18.1220 0.20 . 1 . . . . . . . . 6728 1 48 . 1 1 48 48 VAL HG11 H 1 0.8680 0.02 . 2 . . . . . . . . 6728 1 49 . 1 1 48 48 VAL HG12 H 1 0.8680 0.02 . 2 . . . . . . . . 6728 1 50 . 1 1 48 48 VAL HG13 H 1 0.8680 0.02 . 2 . . . . . . . . 6728 1 51 . 1 1 48 48 VAL HG21 H 1 0.7500 0.02 . 2 . . . . . . . . 6728 1 52 . 1 1 48 48 VAL HG22 H 1 0.7500 0.02 . 2 . . . . . . . . 6728 1 53 . 1 1 48 48 VAL HG23 H 1 0.7500 0.02 . 2 . . . . . . . . 6728 1 54 . 1 1 48 48 VAL CG1 C 13 23.0500 0.20 . 1 . . . . . . . . 6728 1 55 . 1 1 48 48 VAL CG2 C 13 21.4650 0.20 . 1 . . . . . . . . 6728 1 56 . 1 1 57 57 ALA HB1 H 1 1.3480 0.02 . 1 . . . . . . . . 6728 1 57 . 1 1 57 57 ALA HB2 H 1 1.3480 0.02 . 1 . . . . . . . . 6728 1 58 . 1 1 57 57 ALA HB3 H 1 1.3480 0.02 . 1 . . . . . . . . 6728 1 59 . 1 1 57 57 ALA CB C 13 17.9450 0.20 . 1 . . . . . . . . 6728 1 60 . 1 1 58 58 ALA HB1 H 1 1.4500 0.02 . 1 . . . . . . . . 6728 1 61 . 1 1 58 58 ALA HB2 H 1 1.4500 0.02 . 1 . . . . . . . . 6728 1 62 . 1 1 58 58 ALA HB3 H 1 1.4500 0.02 . 1 . . . . . . . . 6728 1 63 . 1 1 58 58 ALA CB C 13 21.6510 0.20 . 1 . . . . . . . . 6728 1 64 . 1 1 59 59 LEU HD11 H 1 -0.4720 0.02 . 2 . . . . . . . . 6728 1 65 . 1 1 59 59 LEU HD12 H 1 -0.4720 0.02 . 2 . . . . . . . . 6728 1 66 . 1 1 59 59 LEU HD13 H 1 -0.4720 0.02 . 2 . . . . . . . . 6728 1 67 . 1 1 59 59 LEU HD21 H 1 0.2780 0.02 . 2 . . . . . . . . 6728 1 68 . 1 1 59 59 LEU HD22 H 1 0.2780 0.02 . 2 . . . . . . . . 6728 1 69 . 1 1 59 59 LEU HD23 H 1 0.2780 0.02 . 2 . . . . . . . . 6728 1 70 . 1 1 59 59 LEU CD1 C 13 23.2330 0.20 . 1 . . . . . . . . 6728 1 71 . 1 1 59 59 LEU CD2 C 13 24.2990 0.20 . 1 . . . . . . . . 6728 1 72 . 1 1 60 60 ILE HD11 H 1 0.9020 0.02 . 1 . . . . . . . . 6728 1 73 . 1 1 60 60 ILE HD12 H 1 0.9020 0.02 . 1 . . . . . . . . 6728 1 74 . 1 1 60 60 ILE HD13 H 1 0.9020 0.02 . 1 . . . . . . . . 6728 1 75 . 1 1 60 60 ILE CD1 C 13 13.0030 0.20 . 1 . . . . . . . . 6728 1 76 . 1 1 65 65 ALA HB1 H 1 1.6980 0.02 . 1 . . . . . . . . 6728 1 77 . 1 1 65 65 ALA HB2 H 1 1.6980 0.02 . 1 . . . . . . . . 6728 1 78 . 1 1 65 65 ALA HB3 H 1 1.6980 0.02 . 1 . . . . . . . . 6728 1 79 . 1 1 65 65 ALA CB C 13 19.7100 0.20 . 1 . . . . . . . . 6728 1 80 . 1 1 66 66 LEU HD11 H 1 0.8230 0.02 . 2 . . . . . . . . 6728 1 81 . 1 1 66 66 LEU HD12 H 1 0.8230 0.02 . 2 . . . . . . . . 6728 1 82 . 1 1 66 66 LEU HD13 H 1 0.8230 0.02 . 2 . . . . . . . . 6728 1 83 . 1 1 66 66 LEU HD21 H 1 1.0690 0.02 . 2 . . . . . . . . 6728 1 84 . 1 1 66 66 LEU HD22 H 1 1.0690 0.02 . 2 . . . . . . . . 6728 1 85 . 1 1 66 66 LEU HD23 H 1 1.0690 0.02 . 2 . . . . . . . . 6728 1 86 . 1 1 66 66 LEU CD1 C 13 25.0050 0.20 . 1 . . . . . . . . 6728 1 87 . 1 1 66 66 LEU CD2 C 13 25.7110 0.20 . 1 . . . . . . . . 6728 1 88 . 1 1 70 70 VAL HG11 H 1 1.2200 0.02 . 2 . . . . . . . . 6728 1 89 . 1 1 70 70 VAL HG12 H 1 1.2200 0.02 . 2 . . . . . . . . 6728 1 90 . 1 1 70 70 VAL HG13 H 1 1.2200 0.02 . 2 . . . . . . . . 6728 1 91 . 1 1 70 70 VAL CG1 C 13 23.2390 0.20 . 1 . . . . . . . . 6728 1 92 . 1 1 73 73 ALA HB1 H 1 1.6250 0.02 . 1 . . . . . . . . 6728 1 93 . 1 1 73 73 ALA HB2 H 1 1.6250 0.02 . 1 . . . . . . . . 6728 1 94 . 1 1 73 73 ALA HB3 H 1 1.6250 0.02 . 1 . . . . . . . . 6728 1 95 . 1 1 73 73 ALA CB C 13 18.2800 0.20 . 1 . . . . . . . . 6728 1 96 . 1 1 76 76 VAL HG11 H 1 0.0790 0.02 . 2 . . . . . . . . 6728 1 97 . 1 1 76 76 VAL HG12 H 1 0.0790 0.02 . 2 . . . . . . . . 6728 1 98 . 1 1 76 76 VAL HG13 H 1 0.0790 0.02 . 2 . . . . . . . . 6728 1 99 . 1 1 76 76 VAL HG21 H 1 0.8970 0.02 . 2 . . . . . . . . 6728 1 100 . 1 1 76 76 VAL HG22 H 1 0.8970 0.02 . 2 . . . . . . . . 6728 1 101 . 1 1 76 76 VAL HG23 H 1 0.8970 0.02 . 2 . . . . . . . . 6728 1 102 . 1 1 76 76 VAL CG1 C 13 20.5500 0.20 . 1 . . . . . . . . 6728 1 103 . 1 1 76 76 VAL CG2 C 13 23.2400 0.20 . 1 . . . . . . . . 6728 1 104 . 1 1 81 81 LEU HG H 1 1.6450 0.02 . 1 . . . . . . . . 6728 1 105 . 1 1 81 81 LEU HD11 H 1 0.9200 0.02 . 2 . . . . . . . . 6728 1 106 . 1 1 81 81 LEU HD12 H 1 0.9200 0.02 . 2 . . . . . . . . 6728 1 107 . 1 1 81 81 LEU HD13 H 1 0.9200 0.02 . 2 . . . . . . . . 6728 1 108 . 1 1 81 81 LEU HD21 H 1 1.1980 0.02 . 2 . . . . . . . . 6728 1 109 . 1 1 81 81 LEU HD22 H 1 1.1980 0.02 . 2 . . . . . . . . 6728 1 110 . 1 1 81 81 LEU HD23 H 1 1.1980 0.02 . 2 . . . . . . . . 6728 1 111 . 1 1 81 81 LEU CD1 C 13 24.8280 0.20 . 1 . . . . . . . . 6728 1 112 . 1 1 81 81 LEU CD2 C 13 27.9900 0.20 . 1 . . . . . . . . 6728 1 113 . 1 1 84 84 VAL HG11 H 1 0.9100 0.02 . 2 . . . . . . . . 6728 1 114 . 1 1 84 84 VAL HG12 H 1 0.9100 0.02 . 2 . . . . . . . . 6728 1 115 . 1 1 84 84 VAL HG13 H 1 0.9100 0.02 . 2 . . . . . . . . 6728 1 116 . 1 1 84 84 VAL CG1 C 13 18.2980 0.20 . 1 . . . . . . . . 6728 1 117 . 1 1 86 86 LEU HD11 H 1 0.4550 0.02 . 2 . . . . . . . . 6728 1 118 . 1 1 86 86 LEU HD12 H 1 0.4550 0.02 . 2 . . . . . . . . 6728 1 119 . 1 1 86 86 LEU HD13 H 1 0.4550 0.02 . 2 . . . . . . . . 6728 1 120 . 1 1 86 86 LEU HD21 H 1 0.7900 0.02 . 2 . . . . . . . . 6728 1 121 . 1 1 86 86 LEU HD22 H 1 0.7900 0.02 . 2 . . . . . . . . 6728 1 122 . 1 1 86 86 LEU HD23 H 1 0.7900 0.02 . 2 . . . . . . . . 6728 1 123 . 1 1 86 86 LEU CD1 C 13 24.9400 0.20 . 1 . . . . . . . . 6728 1 124 . 1 1 86 86 LEU CD2 C 13 24.1400 0.20 . 1 . . . . . . . . 6728 1 125 . 1 1 91 91 VAL HG11 H 1 1.3450 0.02 . 2 . . . . . . . . 6728 1 126 . 1 1 91 91 VAL HG12 H 1 1.3450 0.02 . 2 . . . . . . . . 6728 1 127 . 1 1 91 91 VAL HG13 H 1 1.3450 0.02 . 2 . . . . . . . . 6728 1 128 . 1 1 91 91 VAL HG21 H 1 1.2750 0.02 . 2 . . . . . . . . 6728 1 129 . 1 1 91 91 VAL HG22 H 1 1.2750 0.02 . 2 . . . . . . . . 6728 1 130 . 1 1 91 91 VAL HG23 H 1 1.2750 0.02 . 2 . . . . . . . . 6728 1 131 . 1 1 91 91 VAL CG1 C 13 22.3700 0.20 . 1 . . . . . . . . 6728 1 132 . 1 1 91 91 VAL CG2 C 13 23.7690 0.20 . 1 . . . . . . . . 6728 1 133 . 1 1 92 92 ALA HB1 H 1 2.5300 0.02 . 1 . . . . . . . . 6728 1 134 . 1 1 92 92 ALA HB2 H 1 2.5300 0.02 . 1 . . . . . . . . 6728 1 135 . 1 1 92 92 ALA HB3 H 1 2.5300 0.02 . 1 . . . . . . . . 6728 1 136 . 1 1 92 92 ALA CB C 13 20.4600 0.20 . 1 . . . . . . . . 6728 1 137 . 1 1 93 93 VAL HG11 H 1 1.6540 0.02 . 2 . . . . . . . . 6728 1 138 . 1 1 93 93 VAL HG12 H 1 1.6540 0.02 . 2 . . . . . . . . 6728 1 139 . 1 1 93 93 VAL HG13 H 1 1.6540 0.02 . 2 . . . . . . . . 6728 1 140 . 1 1 93 93 VAL HG21 H 1 1.1000 0.02 . 2 . . . . . . . . 6728 1 141 . 1 1 93 93 VAL HG22 H 1 1.1000 0.02 . 2 . . . . . . . . 6728 1 142 . 1 1 93 93 VAL HG23 H 1 1.1000 0.02 . 2 . . . . . . . . 6728 1 143 . 1 1 93 93 VAL CG1 C 13 23.4160 0.20 . 1 . . . . . . . . 6728 1 144 . 1 1 93 93 VAL CG2 C 13 22.0040 0.20 . 1 . . . . . . . . 6728 1 145 . 1 1 95 95 VAL HG11 H 1 1.0700 0.02 . 2 . . . . . . . . 6728 1 146 . 1 1 95 95 VAL HG12 H 1 1.0700 0.02 . 2 . . . . . . . . 6728 1 147 . 1 1 95 95 VAL HG13 H 1 1.0700 0.02 . 2 . . . . . . . . 6728 1 148 . 1 1 95 95 VAL HG21 H 1 0.7720 0.02 . 2 . . . . . . . . 6728 1 149 . 1 1 95 95 VAL HG22 H 1 0.7720 0.02 . 2 . . . . . . . . 6728 1 150 . 1 1 95 95 VAL HG23 H 1 0.7720 0.02 . 2 . . . . . . . . 6728 1 151 . 1 1 95 95 VAL CG1 C 13 21.6510 0.20 . 1 . . . . . . . . 6728 1 152 . 1 1 95 95 VAL CG2 C 13 23.2390 0.20 . 1 . . . . . . . . 6728 1 153 . 1 1 96 96 MET CE C 13 17.9450 0.20 . 1 . . . . . . . . 6728 1 154 . 1 1 96 96 MET HE1 H 1 2.1150 0.02 . 1 . . . . . . . . 6728 1 155 . 1 1 96 96 MET HE2 H 1 2.1150 0.02 . 1 . . . . . . . . 6728 1 156 . 1 1 96 96 MET HE3 H 1 2.1150 0.02 . 1 . . . . . . . . 6728 1 157 . 1 1 100 100 ILE HD11 H 1 0.9700 0.02 . 1 . . . . . . . . 6728 1 158 . 1 1 100 100 ILE HD12 H 1 0.9700 0.02 . 1 . . . . . . . . 6728 1 159 . 1 1 100 100 ILE HD13 H 1 0.9700 0.02 . 1 . . . . . . . . 6728 1 160 . 1 1 100 100 ILE CD1 C 13 13.4800 0.20 . 1 . . . . . . . . 6728 1 161 . 1 1 105 105 LEU HD11 H 1 1.3280 0.02 . 2 . . . . . . . . 6728 1 162 . 1 1 105 105 LEU HD12 H 1 1.3280 0.02 . 2 . . . . . . . . 6728 1 163 . 1 1 105 105 LEU HD13 H 1 1.3280 0.02 . 2 . . . . . . . . 6728 1 164 . 1 1 105 105 LEU HD21 H 1 1.1500 0.02 . 2 . . . . . . . . 6728 1 165 . 1 1 105 105 LEU HD22 H 1 1.1500 0.02 . 2 . . . . . . . . 6728 1 166 . 1 1 105 105 LEU HD23 H 1 1.1500 0.02 . 2 . . . . . . . . 6728 1 167 . 1 1 105 105 LEU CD1 C 13 24.2990 0.20 . 1 . . . . . . . . 6728 1 168 . 1 1 105 105 LEU CD2 C 13 26.9460 0.20 . 1 . . . . . . . . 6728 1 169 . 1 1 108 108 ALA HB1 H 1 1.7170 0.02 . 1 . . . . . . . . 6728 1 170 . 1 1 108 108 ALA HB2 H 1 1.7170 0.02 . 1 . . . . . . . . 6728 1 171 . 1 1 108 108 ALA HB3 H 1 1.7170 0.02 . 1 . . . . . . . . 6728 1 172 . 1 1 108 108 ALA CB C 13 18.2980 0.20 . 1 . . . . . . . . 6728 1 173 . 1 1 109 109 ALA HB1 H 1 1.2630 0.02 . 1 . . . . . . . . 6728 1 174 . 1 1 109 109 ALA HB2 H 1 1.2630 0.02 . 1 . . . . . . . . 6728 1 175 . 1 1 109 109 ALA HB3 H 1 1.2630 0.02 . 1 . . . . . . . . 6728 1 176 . 1 1 109 109 ALA CB C 13 18.2980 0.20 . 1 . . . . . . . . 6728 1 177 . 1 1 110 110 VAL HG11 H 1 1.0530 0.02 . 2 . . . . . . . . 6728 1 178 . 1 1 110 110 VAL HG12 H 1 1.0530 0.02 . 2 . . . . . . . . 6728 1 179 . 1 1 110 110 VAL HG13 H 1 1.0530 0.02 . 2 . . . . . . . . 6728 1 180 . 1 1 110 110 VAL HG21 H 1 0.5960 0.02 . 2 . . . . . . . . 6728 1 181 . 1 1 110 110 VAL HG22 H 1 0.5960 0.02 . 2 . . . . . . . . 6728 1 182 . 1 1 110 110 VAL HG23 H 1 0.5960 0.02 . 2 . . . . . . . . 6728 1 183 . 1 1 110 110 VAL CG1 C 13 23.0630 0.20 . 1 . . . . . . . . 6728 1 184 . 1 1 110 110 VAL CG2 C 13 21.8280 0.20 . 1 . . . . . . . . 6728 1 185 . 1 1 111 111 ALA HB1 H 1 1.5070 0.02 . 1 . . . . . . . . 6728 1 186 . 1 1 111 111 ALA HB2 H 1 1.5070 0.02 . 1 . . . . . . . . 6728 1 187 . 1 1 111 111 ALA HB3 H 1 1.5070 0.02 . 1 . . . . . . . . 6728 1 188 . 1 1 111 111 ALA CB C 13 16.3570 0.20 . 1 . . . . . . . . 6728 1 stop_ save_