################################### # 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 17924 _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' . . . 17924 1 2 '2D 1H-1H TOCSY' . . . 17924 1 3 '2D 1H-13C HSQC' . . . 17924 1 4 '2D 1H-15N HSQC' . . . 17924 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 2 2 ILE H H 1 8.56 0.05 . 1 . . . . 2 ILE H . 17924 1 2 . 1 1 2 2 ILE HA H 1 4.15 0.05 . 1 . . . . 2 ILE HA . 17924 1 3 . 1 1 2 2 ILE HB H 1 1.78 0.05 . 1 . . . . 2 ILE HB . 17924 1 4 . 1 1 2 2 ILE HG21 H 1 0.84 0.05 . 4 . . . . 2 ILE MG . 17924 1 5 . 1 1 2 2 ILE HG22 H 1 0.84 0.05 . 4 . . . . 2 ILE MG . 17924 1 6 . 1 1 2 2 ILE HG23 H 1 0.84 0.05 . 4 . . . . 2 ILE MG . 17924 1 7 . 1 1 2 2 ILE CA C 13 61.21 0.10 . 1 . . . . 2 ILE CA . 17924 1 8 . 1 1 3 3 HIS H H 1 8.71 0.05 . 1 . . . . 3 HIS H . 17924 1 9 . 1 1 3 3 HIS HA H 1 4.72 0.05 . 1 . . . . 3 HIS HA . 17924 1 10 . 1 1 3 3 HIS HB2 H 1 3.19 0.05 . 2 . . . . 3 HIS HB2 . 17924 1 11 . 1 1 3 3 HIS HB3 H 1 3.11 0.05 . 2 . . . . 3 HIS HB3 . 17924 1 12 . 1 1 3 3 HIS CA C 13 55.33 0.10 . 1 . . . . 3 HIS CA . 17924 1 13 . 1 1 4 4 LYS H H 1 8.54 0.05 . 1 . . . . 4 LYS H . 17924 1 14 . 1 1 4 4 LYS HA H 1 4.26 0.05 . 1 . . . . 4 LYS HA . 17924 1 15 . 1 1 4 4 LYS HB3 H 1 1.78 0.05 . 2 . . . . 4 LYS HB3 . 17924 1 16 . 1 1 4 4 LYS HG2 H 1 1.46 0.05 . 2 . . . . 4 LYS HG2 . 17924 1 17 . 1 1 4 4 LYS HE2 H 1 2.99 0.05 . 2 . . . . 4 LYS HE2 . 17924 1 18 . 1 1 4 4 LYS CA C 13 56.38 0.10 . 1 . . . . 4 LYS CA . 17924 1 19 . 1 1 5 5 GLN H H 1 8.29 0.05 . 1 . . . . 5 GLN H . 17924 1 20 . 1 1 5 5 GLN HA H 1 4.20 0.05 . 1 . . . . 5 GLN HA . 17924 1 21 . 1 1 5 5 GLN HB2 H 1 2.05 0.05 . 2 . . . . 5 GLN HB2 . 17924 1 22 . 1 1 5 5 GLN CA C 13 56.27 0.10 . 1 . . . . 5 GLN CA . 17924 1 23 . 1 1 6 6 LYS H H 1 8.18 0.05 . 1 . . . . 6 LYS H . 17924 1 24 . 1 1 6 6 LYS HA H 1 4.26 0.05 . 1 . . . . 6 LYS HA . 17924 1 25 . 1 1 6 6 LYS HB2 H 1 1.76 0.05 . 2 . . . . 6 LYS HB2 . 17924 1 26 . 1 1 6 6 LYS HG2 H 1 1.42 0.05 . 2 . . . . 6 LYS HG2 . 17924 1 27 . 1 1 6 6 LYS HG3 H 1 1.38 0.05 . 2 . . . . 6 LYS HG3 . 17924 1 28 . 1 1 6 6 LYS HD2 H 1 1.60 0.05 . 2 . . . . 6 LYS HD2 . 17924 1 29 . 1 1 6 6 LYS CA C 13 56.38 0.10 . 1 . . . . 6 LYS CA . 17924 1 30 . 1 1 7 7 GLU H H 1 8.62 0.05 . 1 . . . . 7 GLU H . 17924 1 31 . 1 1 7 7 GLU HA H 1 4.27 0.05 . 1 . . . . 7 GLU HA . 17924 1 32 . 1 1 7 7 GLU HB2 H 1 2.02 0.05 . 2 . . . . 7 GLU HB2 . 17924 1 33 . 1 1 7 7 GLU HB3 H 1 1.95 0.05 . 2 . . . . 7 GLU HB3 . 17924 1 34 . 1 1 7 7 GLU HG2 H 1 2.30 0.05 . 2 . . . . 7 GLU HG2 . 17924 1 35 . 1 1 7 7 GLU CA C 13 56.38 0.10 . 1 . . . . 7 GLU CA . 17924 1 36 . 1 1 8 8 LYS H H 1 8.47 0.05 . 1 . . . . 8 LYS H . 17924 1 37 . 1 1 8 8 LYS HA H 1 4.36 0.05 . 1 . . . . 8 LYS HA . 17924 1 38 . 1 1 8 8 LYS HB2 H 1 1.63 0.05 . 2 . . . . 8 LYS HB2 . 17924 1 39 . 1 1 8 8 LYS HG2 H 1 1.57 0.05 . 2 . . . . 8 LYS HG2 . 17924 1 40 . 1 1 8 8 LYS HE2 H 1 2.95 0.05 . 2 . . . . 8 LYS HE2 . 17924 1 41 . 1 1 8 8 LYS CA C 13 56.17 0.10 . 1 . . . . 8 LYS CA . 17924 1 42 . 1 1 9 9 SER H H 1 8.47 0.05 . 1 . . . . 9 SER H . 17924 1 43 . 1 1 9 9 SER HA H 1 4.41 0.05 . 1 . . . . 9 SER HA . 17924 1 44 . 1 1 9 9 SER HB2 H 1 3.85 0.05 . 2 . . . . 9 SER HB2 . 17924 1 45 . 1 1 9 9 SER HB3 H 1 3.88 0.05 . 2 . . . . 9 SER HB3 . 17924 1 46 . 1 1 9 9 SER CA C 13 58.27 0.10 . 1 . . . . 9 SER CA . 17924 1 47 . 1 1 10 10 ARG H H 1 8.59 0.05 . 1 . . . . 10 ARG H . 17924 1 48 . 1 1 10 10 ARG HA H 1 4.36 0.05 . 1 . . . . 10 ARG HA . 17924 1 49 . 1 1 10 10 ARG HB2 H 1 1.64 0.05 . 2 . . . . 10 ARG HB2 . 17924 1 50 . 1 1 10 10 ARG HB3 H 1 1.77 0.05 . 2 . . . . 10 ARG HB3 . 17924 1 51 . 1 1 10 10 ARG HG2 H 1 1.86 0.05 . 2 . . . . 10 ARG HG2 . 17924 1 52 . 1 1 10 10 ARG HD2 H 1 3.20 0.05 . 2 . . . . 10 ARG HD2 . 17924 1 53 . 1 1 10 10 ARG CA C 13 56.17 0.10 . 1 . . . . 10 ARG CA . 17924 1 54 . 1 1 11 11 LEU H H 1 8.32 0.05 . 1 . . . . 11 LEU H . 17924 1 55 . 1 1 11 11 LEU HA H 1 4.36 0.05 . 1 . . . . 11 LEU HA . 17924 1 56 . 1 1 11 11 LEU HB2 H 1 1.63 0.05 . 2 . . . . 11 LEU HB2 . 17924 1 57 . 1 1 11 11 LEU HB3 H 1 1.55 0.05 . 2 . . . . 11 LEU HB3 . 17924 1 58 . 1 1 11 11 LEU CA C 13 55.12 0.10 . 1 . . . . 11 LEU CA . 17924 1 59 . 1 1 12 12 GLN H H 1 8.54 0.05 . 1 . . . . 12 GLN H . 17924 1 60 . 1 1 12 12 GLN HA H 1 4.36 0.05 . 1 . . . . 12 GLN HA . 17924 1 61 . 1 1 12 12 GLN HB2 H 1 2.00 0.05 . 2 . . . . 12 GLN HB2 . 17924 1 62 . 1 1 12 12 GLN HB3 H 1 2.12 0.05 . 2 . . . . 12 GLN HB3 . 17924 1 63 . 1 1 12 12 GLN HG2 H 1 2.37 0.05 . 2 . . . . 12 GLN HG2 . 17924 1 64 . 1 1 12 12 GLN CA C 13 56.27 0.10 . 1 . . . . 12 GLN CA . 17924 1 65 . 1 1 13 13 GLY H H 1 8.59 0.05 . 1 . . . . 13 GLY H . 17924 1 66 . 1 1 13 13 GLY HA2 H 1 3.97 0.05 . 2 . . . . 13 GLY HA2 . 17924 1 67 . 1 1 13 13 GLY CA C 13 45.36 0.10 . 1 . . . . 13 GLY CA . 17924 1 68 . 1 1 14 14 GLY H H 1 8.37 0.05 . 1 . . . . 14 GLY H . 17924 1 69 . 1 1 14 14 GLY HA2 H 1 3.96 0.05 . 2 . . . . 14 GLY HA2 . 17924 1 70 . 1 1 14 14 GLY CA C 13 45.05 0.10 . 1 . . . . 14 GLY CA . 17924 1 71 . 1 1 15 15 VAL H H 1 8.07 0.05 . 1 . . . . 15 VAL H . 17924 1 72 . 1 1 15 15 VAL HA H 1 4.11 0.05 . 1 . . . . 15 VAL HA . 17924 1 73 . 1 1 15 15 VAL HB H 1 2.07 0.05 . 1 . . . . 15 VAL HB . 17924 1 74 . 1 1 15 15 VAL HG11 H 1 0.92 0.05 . 2 . . . . 15 VAL MG1 . 17924 1 75 . 1 1 15 15 VAL HG12 H 1 0.92 0.05 . 2 . . . . 15 VAL MG1 . 17924 1 76 . 1 1 15 15 VAL HG13 H 1 0.92 0.05 . 2 . . . . 15 VAL MG1 . 17924 1 77 . 1 1 15 15 VAL CA C 13 62.15 0.10 . 1 . . . . 15 VAL CA . 17924 1 78 . 1 1 16 16 LEU H H 1 8.47 0.05 . 1 . . . . 16 LEU H . 17924 1 79 . 1 1 16 16 LEU HA H 1 4.42 0.05 . 1 . . . . 16 LEU HA . 17924 1 80 . 1 1 16 16 LEU HB2 H 1 1.63 0.05 . 2 . . . . 16 LEU HB2 . 17924 1 81 . 1 1 16 16 LEU HB3 H 1 1.57 0.05 . 2 . . . . 16 LEU HB3 . 17924 1 82 . 1 1 16 16 LEU HD11 H 1 0.88 0.05 . 2 . . . . 16 LEU MD1 . 17924 1 83 . 1 1 16 16 LEU HD12 H 1 0.88 0.05 . 2 . . . . 16 LEU MD1 . 17924 1 84 . 1 1 16 16 LEU HD13 H 1 0.88 0.05 . 2 . . . . 16 LEU MD1 . 17924 1 85 . 1 1 16 16 LEU CA C 13 54.91 0.10 . 1 . . . . 16 LEU CA . 17924 1 86 . 1 1 17 17 VAL H H 1 8.28 0.05 . 1 . . . . 17 VAL H . 17924 1 87 . 1 1 17 17 VAL HA H 1 4.04 0.05 . 1 . . . . 17 VAL HA . 17924 1 88 . 1 1 17 17 VAL HB H 1 2.05 0.05 . 1 . . . . 17 VAL HB . 17924 1 89 . 1 1 17 17 VAL HG11 H 1 0.93 0.05 . 2 . . . . 17 VAL MG1 . 17924 1 90 . 1 1 17 17 VAL HG12 H 1 0.93 0.05 . 2 . . . . 17 VAL MG1 . 17924 1 91 . 1 1 17 17 VAL HG13 H 1 0.93 0.05 . 2 . . . . 17 VAL MG1 . 17924 1 92 . 1 1 17 17 VAL CA C 13 62.46 0.10 . 1 . . . . 17 VAL CA . 17924 1 93 . 1 1 18 18 ASN H H 1 8.58 0.05 . 1 . . . . 18 ASN H . 17924 1 94 . 1 1 18 18 ASN HA H 1 4.67 0.05 . 1 . . . . 18 ASN HA . 17924 1 95 . 1 1 18 18 ASN HB2 H 1 2.82 0.05 . 2 . . . . 18 ASN HB2 . 17924 1 96 . 1 1 18 18 ASN HB3 H 1 2.74 0.05 . 2 . . . . 18 ASN HB3 . 17924 1 97 . 1 1 18 18 ASN CA C 13 53.44 0.10 . 1 . . . . 18 ASN CA . 17924 1 98 . 1 1 19 19 GLU H H 1 8.47 0.05 . 1 . . . . 19 GLU H . 17924 1 99 . 1 1 19 19 GLU HA H 1 4.24 0.05 . 1 . . . . 19 GLU HA . 17924 1 100 . 1 1 19 19 GLU HB2 H 1 2.04 0.05 . 2 . . . . 19 GLU HB2 . 17924 1 101 . 1 1 19 19 GLU HB3 H 1 1.97 0.05 . 2 . . . . 19 GLU HB3 . 17924 1 102 . 1 1 19 19 GLU HG2 H 1 2.33 0.05 . 2 . . . . 19 GLU HG2 . 17924 1 103 . 1 1 19 19 GLU HG3 H 1 2.25 0.05 . 2 . . . . 19 GLU HG3 . 17924 1 104 . 1 1 19 19 GLU CA C 13 57.10 0.10 . 1 . . . . 19 GLU CA . 17924 1 105 . 1 1 20 20 ILE H H 1 8.21 0.05 . 1 . . . . 20 ILE H . 17924 1 106 . 1 1 20 20 ILE HA H 1 4.02 0.05 . 1 . . . . 20 ILE HA . 17924 1 107 . 1 1 20 20 ILE HB H 1 1.87 0.05 . 1 . . . . 20 ILE HB . 17924 1 108 . 1 1 20 20 ILE HG12 H 1 1.48 0.05 . 2 . . . . 20 ILE HG12 . 17924 1 109 . 1 1 20 20 ILE HG13 H 1 1.21 0.05 . 2 . . . . 20 ILE HG13 . 17924 1 110 . 1 1 20 20 ILE HG21 H 1 0.88 0.05 . 4 . . . . 20 ILE MG . 17924 1 111 . 1 1 20 20 ILE HG22 H 1 0.88 0.05 . 4 . . . . 20 ILE MG . 17924 1 112 . 1 1 20 20 ILE HG23 H 1 0.88 0.05 . 4 . . . . 20 ILE MG . 17924 1 113 . 1 1 20 20 ILE HD11 H 1 0.88 0.05 . 4 . . . . 20 ILE MD . 17924 1 114 . 1 1 20 20 ILE HD12 H 1 0.88 0.05 . 4 . . . . 20 ILE MD . 17924 1 115 . 1 1 20 20 ILE HD13 H 1 0.88 0.05 . 4 . . . . 20 ILE MD . 17924 1 116 . 1 1 20 20 ILE CA C 13 61.94 0.10 . 1 . . . . 20 ILE CA . 17924 1 117 . 1 1 21 21 LEU H H 1 8.34 0.05 . 1 . . . . 21 LEU H . 17924 1 118 . 1 1 21 21 LEU HA H 1 4.37 0.05 . 1 . . . . 21 LEU HA . 17924 1 119 . 1 1 21 21 LEU HB2 H 1 1.63 0.05 . 2 . . . . 21 LEU HB2 . 17924 1 120 . 1 1 21 21 LEU HB3 H 1 1.55 0.05 . 2 . . . . 21 LEU HB3 . 17924 1 121 . 1 1 21 21 LEU HD11 H 1 0.90 0.05 . 2 . . . . 21 LEU MD1 . 17924 1 122 . 1 1 21 21 LEU HD12 H 1 0.90 0.05 . 2 . . . . 21 LEU MD1 . 17924 1 123 . 1 1 21 21 LEU HD13 H 1 0.90 0.05 . 2 . . . . 21 LEU MD1 . 17924 1 124 . 1 1 21 21 LEU CA C 13 55.02 0.10 . 1 . . . . 21 LEU CA . 17924 1 125 . 1 1 22 22 ASN H H 1 8.33 0.05 . 1 . . . . 22 ASN H . 17924 1 126 . 1 1 22 22 ASN HA H 1 4.60 0.05 . 1 . . . . 22 ASN HA . 17924 1 127 . 1 1 22 22 ASN HB2 H 1 2.48 0.05 . 2 . . . . 22 ASN HB2 . 17924 1 128 . 1 1 22 22 ASN HB3 H 1 2.58 0.05 . 2 . . . . 22 ASN HB3 . 17924 1 129 . 1 1 22 22 ASN CA C 13 53.54 0.10 . 1 . . . . 22 ASN CA . 17924 1 130 . 1 1 23 23 HIS H H 1 8.31 0.05 . 1 . . . . 23 HIS H . 17924 1 131 . 1 1 23 23 HIS HA H 1 4.59 0.05 . 1 . . . . 23 HIS HA . 17924 1 132 . 1 1 23 23 HIS HB2 H 1 3.26 0.05 . 2 . . . . 23 HIS HB2 . 17924 1 133 . 1 1 23 23 HIS HB3 H 1 3.17 0.05 . 2 . . . . 23 HIS HB3 . 17924 1 134 . 1 1 23 23 HIS CA C 13 56.27 0.10 . 1 . . . . 23 HIS CA . 17924 1 135 . 1 1 24 24 MET H H 1 8.25 0.05 . 1 . . . . 24 MET H . 17924 1 136 . 1 1 24 24 MET HA H 1 4.40 0.05 . 1 . . . . 24 MET HA . 17924 1 137 . 1 1 24 24 MET HB2 H 1 2.06 0.05 . 2 . . . . 24 MET HB2 . 17924 1 138 . 1 1 24 24 MET HB3 H 1 2.06 0.05 . 2 . . . . 24 MET HB3 . 17924 1 139 . 1 1 24 24 MET HG2 H 1 2.58 0.05 . 2 . . . . 24 MET HG2 . 17924 1 140 . 1 1 24 24 MET HG3 H 1 2.48 0.05 . 2 . . . . 24 MET HG3 . 17924 1 141 . 1 1 24 24 MET CA C 13 55.85 0.10 . 1 . . . . 24 MET CA . 17924 1 142 . 1 1 25 25 LYS H H 1 8.32 0.05 . 1 . . . . 25 LYS H . 17924 1 143 . 1 1 25 25 LYS HA H 1 4.27 0.05 . 1 . . . . 25 LYS HA . 17924 1 144 . 1 1 25 25 LYS HB2 H 1 1.81 0.05 . 2 . . . . 25 LYS HB2 . 17924 1 145 . 1 1 25 25 LYS HB3 H 1 1.79 0.05 . 2 . . . . 25 LYS HB3 . 17924 1 146 . 1 1 25 25 LYS HG2 H 1 1.44 0.05 . 2 . . . . 25 LYS HG2 . 17924 1 147 . 1 1 25 25 LYS HE2 H 1 2.99 0.05 . 2 . . . . 25 LYS HE2 . 17924 1 148 . 1 1 25 25 LYS CA C 13 56.38 0.10 . 1 . . . . 25 LYS CA . 17924 1 149 . 1 1 26 26 ARG H H 1 8.39 0.05 . 1 . . . . 26 ARG H . 17924 1 150 . 1 1 26 26 ARG HA H 1 4.30 0.05 . 1 . . . . 26 ARG HA . 17924 1 151 . 1 1 26 26 ARG HB2 H 1 1.91 0.05 . 2 . . . . 26 ARG HB2 . 17924 1 152 . 1 1 26 26 ARG HG2 H 1 1.76 0.05 . 2 . . . . 26 ARG HG2 . 17924 1 153 . 1 1 26 26 ARG HG3 H 1 1.06 0.05 . 2 . . . . 26 ARG HG3 . 17924 1 154 . 1 1 26 26 ARG HD2 H 1 3.18 0.05 . 2 . . . . 26 ARG HD2 . 17924 1 155 . 1 1 26 26 ARG CA C 13 55.96 0.10 . 1 . . . . 26 ARG CA . 17924 1 156 . 1 1 27 27 ALA H H 1 8.49 0.05 . 1 . . . . 27 ALA H . 17924 1 157 . 1 1 27 27 ALA HA H 1 4.35 0.05 . 1 . . . . 27 ALA HA . 17924 1 158 . 1 1 27 27 ALA HB1 H 1 1.40 0.05 . 1 . . . . 27 ALA MB . 17924 1 159 . 1 1 27 27 ALA HB2 H 1 1.40 0.05 . 1 . . . . 27 ALA MB . 17924 1 160 . 1 1 27 27 ALA HB3 H 1 1.40 0.05 . 1 . . . . 27 ALA MB . 17924 1 161 . 1 1 27 27 ALA CA C 13 52.50 0.10 . 1 . . . . 27 ALA CA . 17924 1 162 . 1 1 28 28 THR H H 1 8.22 . . 1 . . . . 28 THR H . 17924 1 163 . 1 1 28 28 THR HA H 1 4.26 . . 1 . . . . 28 THR HA . 17924 1 164 . 1 1 28 28 THR HB H 1 4.18 . . 1 . . . . 28 THR HB . 17924 1 165 . 1 1 28 28 THR HG21 H 1 1.21 0.05 . 1 . . . . 28 THR MG . 17924 1 166 . 1 1 28 28 THR HG22 H 1 1.21 0.05 . 1 . . . . 28 THR MG . 17924 1 167 . 1 1 28 28 THR HG23 H 1 1.21 0.05 . 1 . . . . 28 THR MG . 17924 1 168 . 1 1 28 28 THR CA C 13 61.94 0.10 . 1 . . . . 28 THR CA . 17924 1 169 . 1 1 29 29 GLN H H 1 8.66 0.05 . 1 . . . . 29 GLN H . 17924 1 170 . 1 1 29 29 GLN HA H 1 4.28 0.05 . 1 . . . . 29 GLN HA . 17924 1 171 . 1 1 29 29 GLN HB2 H 1 2.00 0.05 . 2 . . . . 29 GLN HB2 . 17924 1 172 . 1 1 29 29 GLN HB3 H 1 2.09 0.05 . 2 . . . . 29 GLN HB3 . 17924 1 173 . 1 1 29 29 GLN HG2 H 1 2.40 0.05 . 2 . . . . 29 GLN HG2 . 17924 1 174 . 1 1 29 29 GLN CA C 13 55.65 0.10 . 1 . . . . 29 GLN CA . 17924 1 175 . 1 1 30 30 ILE H H 1 8.41 0.05 . 1 . . . . 30 ILE H . 17924 1 176 . 1 1 30 30 ILE HA H 1 4.43 0.05 . 1 . . . . 30 ILE HA . 17924 1 177 . 1 1 30 30 ILE HB H 1 1.87 0.05 . 1 . . . . 30 ILE HB . 17924 1 178 . 1 1 30 30 ILE HG12 H 1 1.52 0.05 . 2 . . . . 30 ILE HG12 . 17924 1 179 . 1 1 30 30 ILE HG13 H 1 1.20 0.05 . 2 . . . . 30 ILE HG13 . 17924 1 180 . 1 1 30 30 ILE HG21 H 1 0.97 0.05 . 4 . . . . 30 ILE MG . 17924 1 181 . 1 1 30 30 ILE HG22 H 1 0.97 0.05 . 4 . . . . 30 ILE MG . 17924 1 182 . 1 1 30 30 ILE HG23 H 1 0.97 0.05 . 4 . . . . 30 ILE MG . 17924 1 183 . 1 1 30 30 ILE HD11 H 1 0.87 0.05 . 4 . . . . 30 ILE MD . 17924 1 184 . 1 1 30 30 ILE HD12 H 1 0.87 0.05 . 4 . . . . 30 ILE MD . 17924 1 185 . 1 1 30 30 ILE HD13 H 1 0.87 0.05 . 4 . . . . 30 ILE MD . 17924 1 186 . 1 1 30 30 ILE CA C 13 61.20 0.10 . 1 . . . . 30 ILE CA . 17924 1 187 . 1 1 31 31 PRO HA H 1 4.39 0.05 . 1 . . . . 31 PRO HA . 17924 1 188 . 1 1 31 31 PRO CA C 13 63.20 0.10 . 1 . . . . 31 PRO CA . 17924 1 189 . 1 1 32 32 SER H H 1 8.42 0.05 . 1 . . . . 32 SER H . 17924 1 190 . 1 1 32 32 SER HA H 1 4.35 0.05 . 1 . . . . 32 SER HA . 17924 1 191 . 1 1 32 32 SER HB2 H 1 3.82 0.05 . 2 . . . . 32 SER HB2 . 17924 1 192 . 1 1 32 32 SER HB3 H 1 3.86 0.05 . 2 . . . . 32 SER HB3 . 17924 1 193 . 1 1 32 32 SER CA C 13 58.16 0.10 . 1 . . . . 32 SER CA . 17924 1 194 . 1 1 33 33 TYR H H 1 8.21 0.05 . 1 . . . . 33 TYR H . 17924 1 195 . 1 1 33 33 TYR HA H 1 4.55 0.05 . 1 . . . . 33 TYR HA . 17924 1 196 . 1 1 33 33 TYR HB2 H 1 3.02 0.05 . 2 . . . . 33 TYR HB2 . 17924 1 197 . 1 1 33 33 TYR HB3 H 1 3.02 0.05 . 2 . . . . 33 TYR HB3 . 17924 1 198 . 1 1 33 33 TYR CA C 13 57.85 0.10 . 1 . . . . 33 TYR CA . 17924 1 199 . 1 1 34 34 LYS H H 1 8.07 0.05 . 1 . . . . 34 LYS H . 17924 1 200 . 1 1 34 34 LYS HA H 1 4.19 0.05 . 1 . . . . 34 LYS HA . 17924 1 201 . 1 1 34 34 LYS HB2 H 1 1.74 0.05 . 2 . . . . 34 LYS HB2 . 17924 1 202 . 1 1 34 34 LYS HB3 H 1 1.63 0.05 . 2 . . . . 34 LYS HB3 . 17924 1 203 . 1 1 34 34 LYS HG2 H 1 1.30 0.05 . 2 . . . . 34 LYS HG2 . 17924 1 204 . 1 1 34 34 LYS HE2 H 1 2.95 0.05 . 2 . . . . 34 LYS HE2 . 17924 1 205 . 1 1 34 34 LYS CA C 13 56.27 0.10 . 1 . . . . 34 LYS CA . 17924 1 206 . 1 1 35 35 LYS H H 1 8.12 0.05 . 1 . . . . 35 LYS H . 17924 1 207 . 1 1 35 35 LYS HA H 1 4.19 0.05 . 1 . . . . 35 LYS HA . 17924 1 208 . 1 1 35 35 LYS HB2 H 1 1.74 0.05 . 2 . . . . 35 LYS HB2 . 17924 1 209 . 1 1 35 35 LYS HB3 H 1 1.63 0.05 . 2 . . . . 35 LYS HB3 . 17924 1 210 . 1 1 35 35 LYS HG2 H 1 1.31 0.05 . 2 . . . . 35 LYS HG2 . 17924 1 211 . 1 1 35 35 LYS HE2 H 1 2.95 0.05 . 2 . . . . 35 LYS HE2 . 17924 1 212 . 1 1 35 35 LYS CA C 13 56.27 0.10 . 1 . . . . 35 LYS CA . 17924 1 213 . 1 1 36 36 LEU H H 1 8.30 0.05 . 1 . . . . 36 LEU H . 17924 1 214 . 1 1 36 36 LEU HA H 1 4.32 0.05 . 1 . . . . 36 LEU HA . 17924 1 215 . 1 1 36 36 LEU HB2 H 1 1.61 0.05 . 2 . . . . 36 LEU HB2 . 17924 1 216 . 1 1 36 36 LEU HB3 H 1 1.56 0.05 . 2 . . . . 36 LEU HB3 . 17924 1 217 . 1 1 36 36 LEU HD11 H 1 0.92 0.05 . 2 . . . . 36 LEU MD1 . 17924 1 218 . 1 1 36 36 LEU HD12 H 1 0.92 0.05 . 2 . . . . 36 LEU MD1 . 17924 1 219 . 1 1 36 36 LEU HD13 H 1 0.92 0.05 . 2 . . . . 36 LEU MD1 . 17924 1 220 . 1 1 36 36 LEU CA C 13 55.02 0.10 . 1 . . . . 36 LEU CA . 17924 1 221 . 1 1 37 37 ILE H H 1 8.19 0.05 . 1 . . . . 37 ILE H . 17924 1 222 . 1 1 37 37 ILE HA H 1 4.05 0.05 . 1 . . . . 37 ILE HA . 17924 1 223 . 1 1 37 37 ILE HB H 1 1.76 0.05 . 1 . . . . 37 ILE HB . 17924 1 224 . 1 1 37 37 ILE HG12 H 1 1.44 0.05 . 2 . . . . 37 ILE HG12 . 17924 1 225 . 1 1 37 37 ILE HG13 H 1 1.13 0.05 . 2 . . . . 37 ILE HG13 . 17924 1 226 . 1 1 37 37 ILE HG21 H 1 0.71 0.05 . 4 . . . . 37 ILE MG . 17924 1 227 . 1 1 37 37 ILE HG22 H 1 0.71 0.05 . 4 . . . . 37 ILE MG . 17924 1 228 . 1 1 37 37 ILE HG23 H 1 0.71 0.05 . 4 . . . . 37 ILE MG . 17924 1 229 . 1 1 37 37 ILE HD11 H 1 0.82 0.05 . 4 . . . . 37 ILE MD . 17924 1 230 . 1 1 37 37 ILE HD12 H 1 0.82 0.05 . 4 . . . . 37 ILE MD . 17924 1 231 . 1 1 37 37 ILE HD13 H 1 0.82 0.05 . 4 . . . . 37 ILE MD . 17924 1 232 . 1 1 37 37 ILE CA C 13 60.89 0.10 . 1 . . . . 37 ILE CA . 17924 1 233 . 1 1 38 38 MET H H 1 8.38 0.05 . 1 . . . . 38 MET H . 17924 1 234 . 1 1 38 38 MET HA H 1 4.43 0.05 . 1 . . . . 38 MET HA . 17924 1 235 . 1 1 38 38 MET HB2 H 1 1.91 0.05 . 2 . . . . 38 MET HB2 . 17924 1 236 . 1 1 38 38 MET HB3 H 1 1.91 0.05 . 2 . . . . 38 MET HB3 . 17924 1 237 . 1 1 38 38 MET HG2 H 1 2.48 0.05 . 2 . . . . 38 MET HG2 . 17924 1 238 . 1 1 38 38 MET HG3 H 1 2.38 0.05 . 2 . . . . 38 MET HG3 . 17924 1 239 . 1 1 38 38 MET CA C 13 54.91 0.10 . 1 . . . . 38 MET CA . 17924 1 240 . 1 1 39 39 TYR H H 1 8.27 0.05 . 1 . . . . 39 TYR H . 17924 1 241 . 1 1 39 39 TYR HA H 1 4.53 0.05 . 1 . . . . 39 TYR HA . 17924 1 242 . 1 1 39 39 TYR HB2 H 1 3.10 0.05 . 2 . . . . 39 TYR HB2 . 17924 1 243 . 1 1 39 39 TYR HB3 H 1 2.91 0.05 . 2 . . . . 39 TYR HB3 . 17924 1 244 . 1 1 39 39 TYR CA C 13 57.64 0.10 . 1 . . . . 39 TYR CA . 17924 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 4 17924 1 1 5 17924 1 1 6 17924 1 2 110 17924 1 2 111 17924 1 2 112 17924 1 2 113 17924 1 2 114 17924 1 2 115 17924 1 3 180 17924 1 3 181 17924 1 3 182 17924 1 3 183 17924 1 3 184 17924 1 3 185 17924 1 4 226 17924 1 4 227 17924 1 4 228 17924 1 4 229 17924 1 4 230 17924 1 4 231 17924 1 stop_ save_