################################### # 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 5183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _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 '1H-1H NOESY' 1 $sample_1 . 5183 1 2 '1H-1H TOCSY' 1 $sample_1 . 5183 1 3 '15N-1H HSQC' 1 $sample_1 . 5183 1 4 '15N-1H HSQC-TOCSY' 1 $sample_1 . 5183 1 5 '15N-1H HSQC-NOESY' 1 $sample_1 . 5183 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.Ambiguity_set_ID _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 LYS H H 1 8.44 0.02 . 1 . . . . . . . . . 5183 1 2 . 1 1 2 2 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . . 5183 1 3 . 1 1 2 2 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . . 5183 1 4 . 1 1 2 2 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . . 5183 1 5 . 1 1 2 2 LYS HG2 H 1 1.49 0.02 . 1 . . . . . . . . . 5183 1 6 . 1 1 2 2 LYS HG3 H 1 1.49 0.02 . 1 . . . . . . . . . 5183 1 7 . 1 1 2 2 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 1 8 . 1 1 2 2 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 1 9 . 1 1 2 2 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . . 5183 1 10 . 1 1 2 2 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . . 5183 1 11 . 1 1 3 3 ALA H H 1 8.00 0.02 . 1 . . . . . . . . . 5183 1 12 . 1 1 3 3 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . . 5183 1 13 . 1 1 3 3 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . . 5183 1 14 . 1 1 3 3 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . . 5183 1 15 . 1 1 3 3 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . . 5183 1 16 . 1 1 3 3 ALA N N 15 122.01 0.02 . 1 . . . . . . . . . 5183 1 17 . 1 1 4 4 CLG H H 1 7.76 0.02 . 1 . . . . . . . . . 5183 1 18 . 1 1 4 4 CLG HA H 1 4.68 0.02 . 1 . . . . . . . . . 5183 1 19 . 1 1 4 4 CLG HB2 H 1 2.07 0.02 . 2 . . . . . . . . . 5183 1 20 . 1 1 4 4 CLG HB3 H 1 1.95 0.02 . 2 . . . . . . . . . 5183 1 21 . 1 1 4 4 CLG HG2 H 1 1.47 0.02 . 1 . . . . . . . . . 5183 1 22 . 1 1 4 4 CLG HG3 H 1 1.47 0.02 . 1 . . . . . . . . . 5183 1 23 . 1 1 4 4 CLG HD2 H 1 1.67 0.02 . 1 . . . . . . . . . 5183 1 24 . 1 1 4 4 CLG HD3 H 1 1.67 0.02 . 1 . . . . . . . . . 5183 1 25 . 1 1 4 4 CLG HE2 H 1 2.30 0.02 . 2 . . . . . . . . . 5183 1 26 . 1 1 4 4 CLG HE3 H 1 2.21 0.02 . 2 . . . . . . . . . 5183 1 27 . 1 1 5 5 ILE H H 1 8.68 0.02 . 1 . . . . . . . . . 5183 1 28 . 1 1 5 5 ILE HA H 1 4.38 0.02 . 1 . . . . . . . . . 5183 1 29 . 1 1 5 5 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . . 5183 1 30 . 1 1 5 5 ILE HD11 H 1 0.548 0.02 . 1 . . . . . . . . . 5183 1 31 . 1 1 5 5 ILE HD12 H 1 0.548 0.02 . 1 . . . . . . . . . 5183 1 32 . 1 1 5 5 ILE HD13 H 1 0.548 0.02 . 1 . . . . . . . . . 5183 1 33 . 1 1 7 7 ARG H H 1 9.34 0.02 . 1 . . . . . . . . . 5183 1 34 . 1 1 7 7 ARG HA H 1 4.75 0.02 . 1 . . . . . . . . . 5183 1 35 . 1 1 8 8 TYR H H 1 8.13 0.02 . 1 . . . . . . . . . 5183 1 36 . 1 1 8 8 TYR HA H 1 5.93 0.02 . 1 . . . . . . . . . 5183 1 37 . 1 1 8 8 TYR HB2 H 1 3.13 0.02 . 2 . . . . . . . . . 5183 1 38 . 1 1 8 8 TYR HB3 H 1 2.85 0.02 . 2 . . . . . . . . . 5183 1 39 . 1 1 8 8 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . . 5183 1 40 . 1 1 8 8 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . . 5183 1 41 . 1 1 8 8 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . . 5183 1 42 . 1 1 8 8 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . . 5183 1 43 . 1 1 9 9 PHE H H 1 9.28 0.02 . 1 . . . . . . . . . 5183 1 44 . 1 1 9 9 PHE HA H 1 4.93 0.02 . 1 . . . . . . . . . 5183 1 45 . 1 1 9 9 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . . 5183 1 46 . 1 1 9 9 PHE HB3 H 1 3.04 0.02 . 2 . . . . . . . . . 5183 1 47 . 1 1 9 9 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . . 5183 1 48 . 1 1 9 9 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . . 5183 1 49 . 1 1 9 9 PHE HE1 H 1 7.22 0.02 . 1 . . . . . . . . . 5183 1 50 . 1 1 9 9 PHE HE2 H 1 7.22 0.02 . 1 . . . . . . . . . 5183 1 51 . 1 1 9 9 PHE N N 15 118.41 0.02 . 1 . . . . . . . . . 5183 1 52 . 1 1 10 10 TYR H H 1 8.91 0.02 . 1 . . . . . . . . . 5183 1 53 . 1 1 10 10 TYR HA H 1 5.11 0.02 . 1 . . . . . . . . . 5183 1 54 . 1 1 10 10 TYR HB2 H 1 2.30 0.02 . 2 . . . . . . . . . 5183 1 55 . 1 1 10 10 TYR HB3 H 1 2.06 0.02 . 2 . . . . . . . . . 5183 1 56 . 1 1 10 10 TYR HD1 H 1 6.59 0.02 . 1 . . . . . . . . . 5183 1 57 . 1 1 10 10 TYR HD2 H 1 6.59 0.02 . 1 . . . . . . . . . 5183 1 58 . 1 1 10 10 TYR HE1 H 1 6.42 0.02 . 1 . . . . . . . . . 5183 1 59 . 1 1 10 10 TYR HE2 H 1 6.42 0.02 . 1 . . . . . . . . . 5183 1 60 . 1 1 11 11 ASN H H 1 8.09 0.02 . 1 . . . . . . . . . 5183 1 61 . 1 1 11 11 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . . 5183 1 62 . 1 1 11 11 ASN HB2 H 1 3.02 0.02 . 2 . . . . . . . . . 5183 1 63 . 1 1 11 11 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . . 5183 1 64 . 1 1 12 12 ALA H H 1 8.5 0.02 . 1 . . . . . . . . . 5183 1 65 . 1 1 12 12 ALA HA H 1 3.76 0.02 . 1 . . . . . . . . . 5183 1 66 . 1 1 12 12 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . . 5183 1 67 . 1 1 12 12 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . . 5183 1 68 . 1 1 12 12 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . . 5183 1 69 . 1 1 12 12 ALA N N 15 126.68 0.02 . 1 . . . . . . . . . 5183 1 70 . 1 1 13 13 LYS H H 1 8.14 0.02 . 1 . . . . . . . . . 5183 1 71 . 1 1 13 13 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . . 5183 1 72 . 1 1 14 14 ASP H H 1 7.27 0.02 . 1 . . . . . . . . . 5183 1 73 . 1 1 14 14 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . . 5183 1 74 . 1 1 14 14 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . . 5183 1 75 . 1 1 14 14 ASP HB3 H 1 2.35 0.02 . 2 . . . . . . . . . 5183 1 76 . 1 1 15 15 GLY H H 1 7.86 0.02 . 1 . . . . . . . . . 5183 1 77 . 1 1 15 15 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . . 5183 1 78 . 1 1 15 15 GLY HA3 H 1 3.27 0.02 . 2 . . . . . . . . . 5183 1 79 . 1 1 15 15 GLY N N 15 110.53 0.02 . 1 . . . . . . . . . 5183 1 80 . 1 1 16 16 LEU H H 1 6.96 0.02 . 1 . . . . . . . . . 5183 1 81 . 1 1 16 16 LEU HA H 1 5.15 0.02 . 1 . . . . . . . . . 5183 1 82 . 1 1 16 16 LEU HB2 H 1 1.5 0.02 . 1 . . . . . . . . . 5183 1 83 . 1 1 16 16 LEU HB3 H 1 1.5 0.02 . 1 . . . . . . . . . 5183 1 84 . 1 1 16 16 LEU HG H 1 1.18 0.02 . 1 . . . . . . . . . 5183 1 85 . 1 1 16 16 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . . 5183 1 86 . 1 1 16 16 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . . 5183 1 87 . 1 1 16 16 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . . 5183 1 88 . 1 1 16 16 LEU HD21 H 1 0.59 0.02 . 2 . . . . . . . . . 5183 1 89 . 1 1 16 16 LEU HD22 H 1 0.59 0.02 . 2 . . . . . . . . . 5183 1 90 . 1 1 16 16 LEU HD23 H 1 0.59 0.02 . 2 . . . . . . . . . 5183 1 91 . 1 1 16 16 LEU N N 15 115.9 0.02 . 1 . . . . . . . . . 5183 1 92 . 1 1 17 17 ABA H H 1 9.38 0.02 . 1 . . . . . . . . . 5183 1 93 . 1 1 17 17 ABA HA H 1 5.24 0.02 . 1 . . . . . . . . . 5183 1 94 . 1 1 17 17 ABA HB2 H 1 2.23 0.02 . 1 . . . . . . . . . 5183 1 95 . 1 1 17 17 ABA HG2 H 1 1.05 0.02 . 1 . . . . . . . . . 5183 1 96 . 1 1 18 18 GLN H H 1 9.29 0.02 . 1 . . . . . . . . . 5183 1 97 . 1 1 18 18 GLN HA H 1 5.61 0.02 . 1 . . . . . . . . . 5183 1 98 . 1 1 18 18 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . . 5183 1 99 . 1 1 18 18 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . . 5183 1 100 . 1 1 18 18 GLN HG2 H 1 2.29 0.02 . 1 . . . . . . . . . 5183 1 101 . 1 1 18 18 GLN HG3 H 1 2.29 0.02 . 1 . . . . . . . . . 5183 1 102 . 1 1 19 19 THR H H 1 8.99 0.02 . 1 . . . . . . . . . 5183 1 103 . 1 1 19 19 THR HA H 1 5.43 0.02 . 1 . . . . . . . . . 5183 1 104 . 1 1 19 19 THR HB H 1 4.23 0.02 . 1 . . . . . . . . . 5183 1 105 . 1 1 19 19 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . . 5183 1 106 . 1 1 19 19 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . . 5183 1 107 . 1 1 19 19 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . . 5183 1 108 . 1 1 20 20 PHE H H 1 9.77 0.02 . 1 . . . . . . . . . 5183 1 109 . 1 1 20 20 PHE HA H 1 5.1 0.02 . 1 . . . . . . . . . 5183 1 110 . 1 1 20 20 PHE HB2 H 1 3.03 0.02 . 2 . . . . . . . . . 5183 1 111 . 1 1 20 20 PHE HB3 H 1 2.56 0.02 . 2 . . . . . . . . . 5183 1 112 . 1 1 20 20 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . . 5183 1 113 . 1 1 20 20 PHE HD2 H 1 7.16 0.02 . 1 . . . . . . . . . 5183 1 114 . 1 1 20 20 PHE HE1 H 1 6.68 0.02 . 1 . . . . . . . . . 5183 1 115 . 1 1 20 20 PHE HE2 H 1 6.68 0.02 . 1 . . . . . . . . . 5183 1 116 . 1 1 20 20 PHE N N 15 126.38 0.02 . 1 . . . . . . . . . 5183 1 117 . 1 1 21 21 VAL H H 1 9.34 0.02 . 1 . . . . . . . . . 5183 1 118 . 1 1 21 21 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . . 5183 1 119 . 1 1 21 21 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . . 5183 1 120 . 1 1 21 21 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 121 . 1 1 21 21 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 122 . 1 1 21 21 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 123 . 1 1 21 21 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 124 . 1 1 21 21 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 125 . 1 1 21 21 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . . 5183 1 126 . 1 1 21 21 VAL N N 15 123.28 0.02 . 1 . . . . . . . . . 5183 1 127 . 1 1 22 22 TYR H H 1 9.57 0.02 . 1 . . . . . . . . . 5183 1 128 . 1 1 22 22 TYR HA H 1 4.97 0.02 . 1 . . . . . . . . . 5183 1 129 . 1 1 22 22 TYR HB2 H 1 3.16 0.02 . 2 . . . . . . . . . 5183 1 130 . 1 1 22 22 TYR HB3 H 1 3.04 0.02 . 2 . . . . . . . . . 5183 1 131 . 1 1 22 22 TYR HE1 H 1 7.18 0.02 . 1 . . . . . . . . . 5183 1 132 . 1 1 22 22 TYR HE2 H 1 7.18 0.02 . 1 . . . . . . . . . 5183 1 133 . 1 1 23 23 GLY H H 1 8.82 0.02 . 1 . . . . . . . . . 5183 1 134 . 1 1 23 23 GLY HA2 H 1 4.31 0.02 . 2 . . . . . . . . . 5183 1 135 . 1 1 23 23 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . . 5183 1 136 . 1 1 23 23 GLY N N 15 110.47 0.02 . 1 . . . . . . . . . 5183 1 137 . 1 1 24 24 GLY H H 1 8.07 0.02 . 1 . . . . . . . . . 5183 1 138 . 1 1 24 24 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . . 5183 1 139 . 1 1 24 24 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . . 5183 1 140 . 1 1 24 24 GLY N N 15 106.23 0.02 . 1 . . . . . . . . . 5183 1 141 . 1 1 25 25 CYS H H 1 8.49 0.02 . 1 . . . . . . . . . 5183 1 142 . 1 1 25 25 CYS HA H 1 4.65 0.02 . 1 . . . . . . . . . 5183 1 143 . 1 1 25 25 CYS HB2 H 1 3.23 0.02 . 2 . . . . . . . . . 5183 1 144 . 1 1 25 25 CYS HB3 H 1 2.98 0.02 . 2 . . . . . . . . . 5183 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 5183 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _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 '1H-1H NOESY' 1 $sample_1 . 5183 2 2 '1H-1H TOCSY' 1 $sample_1 . 5183 2 3 '15N-1H HSQC' 1 $sample_1 . 5183 2 4 '15N-1H HSQC-TOCSY' 1 $sample_1 . 5183 2 5 '15N-1H HSQC-NOESY' 1 $sample_1 . 5183 2 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.Ambiguity_set_ID _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 . 2 2 2 2 LYS H H 1 8.36 0.02 . 1 . . . . . . . . . 5183 2 2 . 2 2 2 2 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . . 5183 2 3 . 2 2 3 3 ALA H H 1 8.12 0.02 . 1 . . . . . . . . . 5183 2 4 . 2 2 3 3 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . . 5183 2 5 . 2 2 3 3 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . . 5183 2 6 . 2 2 3 3 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . . 5183 2 7 . 2 2 3 3 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . . 5183 2 8 . 2 2 3 3 ALA N N 15 122.37 0.02 . 1 . . . . . . . . . 5183 2 9 . 2 2 4 4 ARG H H 1 7.93 0.02 . 1 . . . . . . . . . 5183 2 10 . 2 2 4 4 ARG HA H 1 4.62 0.02 . 1 . . . . . . . . . 5183 2 11 . 2 2 4 4 ARG HB2 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 2 12 . 2 2 4 4 ARG HB3 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 2 13 . 2 2 4 4 ARG HG2 H 1 1.59 0.02 . 2 . . . . . . . . . 5183 2 14 . 2 2 4 4 ARG HG3 H 1 1.50 0.02 . 2 . . . . . . . . . 5183 2 15 . 2 2 5 5 ILE H H 1 8.68 0.02 . 1 . . . . . . . . . 5183 2 16 . 2 2 5 5 ILE HA H 1 4.75 0.02 . 1 . . . . . . . . . 5183 2 17 . 2 2 5 5 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . . 5183 2 18 . 2 2 5 5 ILE HG12 H 1 1.54 0.02 . 2 . . . . . . . . . 5183 2 19 . 2 2 5 5 ILE HG13 H 1 0.96 0.02 . 2 . . . . . . . . . 5183 2 20 . 2 2 5 5 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . . 5183 2 21 . 2 2 5 5 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . . 5183 2 22 . 2 2 5 5 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . . 5183 2 23 . 2 2 6 6 ILE H H 1 8.64 0.02 . 1 . . . . . . . . . 5183 2 24 . 2 2 6 6 ILE HA H 1 4.7 0.02 . 1 . . . . . . . . . 5183 2 25 . 2 2 6 6 ILE HG12 H 1 1.41 0.02 . 2 . . . . . . . . . 5183 2 26 . 2 2 6 6 ILE HG13 H 1 0.97 0.02 . 2 . . . . . . . . . 5183 2 27 . 2 2 6 6 ILE HG21 H 1 0.36 0.02 . 1 . . . . . . . . . 5183 2 28 . 2 2 6 6 ILE HG22 H 1 0.36 0.02 . 1 . . . . . . . . . 5183 2 29 . 2 2 6 6 ILE HG23 H 1 0.36 0.02 . 1 . . . . . . . . . 5183 2 30 . 2 2 7 7 ARG H H 1 9.06 0.02 . 1 . . . . . . . . . 5183 2 31 . 2 2 7 7 ARG HA H 1 5.33 0.02 . 1 . . . . . . . . . 5183 2 32 . 2 2 7 7 ARG HB2 H 1 1.72 0.02 . 1 . . . . . . . . . 5183 2 33 . 2 2 7 7 ARG HB3 H 1 1.72 0.02 . 1 . . . . . . . . . 5183 2 34 . 2 2 7 7 ARG HG2 H 1 1.44 0.02 . 1 . . . . . . . . . 5183 2 35 . 2 2 7 7 ARG HG3 H 1 1.44 0.02 . 1 . . . . . . . . . 5183 2 36 . 2 2 8 8 TYR H H 1 8.79 0.02 . 1 . . . . . . . . . 5183 2 37 . 2 2 8 8 TYR HA H 1 5.58 0.02 . 1 . . . . . . . . . 5183 2 38 . 2 2 8 8 TYR HB2 H 1 3.15 0.02 . 2 . . . . . . . . . 5183 2 39 . 2 2 8 8 TYR HB3 H 1 2.90 0.02 . 2 . . . . . . . . . 5183 2 40 . 2 2 8 8 TYR HD1 H 1 6.94 0.02 . 1 . . . . . . . . . 5183 2 41 . 2 2 8 8 TYR HD2 H 1 6.94 0.02 . 1 . . . . . . . . . 5183 2 42 . 2 2 8 8 TYR HE1 H 1 6.51 0.02 . 1 . . . . . . . . . 5183 2 43 . 2 2 8 8 TYR HE2 H 1 6.51 0.02 . 1 . . . . . . . . . 5183 2 44 . 2 2 9 9 PHE H H 1 9.7 0.02 . 1 . . . . . . . . . 5183 2 45 . 2 2 9 9 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . . 5183 2 46 . 2 2 9 9 PHE HB2 H 1 3.36 0.02 . 2 . . . . . . . . . 5183 2 47 . 2 2 9 9 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . . 5183 2 48 . 2 2 9 9 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . . 5183 2 49 . 2 2 9 9 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . . 5183 2 50 . 2 2 9 9 PHE HE1 H 1 7.12 0.02 . 1 . . . . . . . . . 5183 2 51 . 2 2 9 9 PHE HE2 H 1 7.12 0.02 . 1 . . . . . . . . . 5183 2 52 . 2 2 9 9 PHE N N 15 126.63 0.02 . 1 . . . . . . . . . 5183 2 53 . 2 2 10 10 TYR H H 1 9.28 0.02 . 1 . . . . . . . . . 5183 2 54 . 2 2 10 10 TYR HA H 1 4.92 0.02 . 1 . . . . . . . . . 5183 2 55 . 2 2 10 10 TYR HB2 H 1 3.30 0.02 . 2 . . . . . . . . . 5183 2 56 . 2 2 10 10 TYR HB3 H 1 2.80 0.02 . 2 . . . . . . . . . 5183 2 57 . 2 2 10 10 TYR HD1 H 1 6.75 0.02 . 1 . . . . . . . . . 5183 2 58 . 2 2 10 10 TYR HD2 H 1 6.75 0.02 . 1 . . . . . . . . . 5183 2 59 . 2 2 10 10 TYR HE1 H 1 6.42 0.02 . 1 . . . . . . . . . 5183 2 60 . 2 2 10 10 TYR HE2 H 1 6.42 0.02 . 1 . . . . . . . . . 5183 2 61 . 2 2 11 11 ASN H H 1 8.23 0.02 . 1 . . . . . . . . . 5183 2 62 . 2 2 11 11 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . . 5183 2 63 . 2 2 11 11 ASN HB2 H 1 3.21 0.02 . 1 . . . . . . . . . 5183 2 64 . 2 2 11 11 ASN HB3 H 1 3.21 0.02 . 1 . . . . . . . . . 5183 2 65 . 2 2 12 12 ALA H H 1 8.42 0.02 . 1 . . . . . . . . . 5183 2 66 . 2 2 12 12 ALA HA H 1 3.56 0.02 . 1 . . . . . . . . . 5183 2 67 . 2 2 12 12 ALA HB1 H 1 1.3 0.02 . 1 . . . . . . . . . 5183 2 68 . 2 2 12 12 ALA HB2 H 1 1.3 0.02 . 1 . . . . . . . . . 5183 2 69 . 2 2 12 12 ALA HB3 H 1 1.3 0.02 . 1 . . . . . . . . . 5183 2 70 . 2 2 12 12 ALA N N 15 124.64 0.02 . 1 . . . . . . . . . 5183 2 71 . 2 2 13 13 LYS H H 1 7.95 0.02 . 1 . . . . . . . . . 5183 2 72 . 2 2 13 13 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . . 5183 2 73 . 2 2 13 13 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . . 5183 2 74 . 2 2 13 13 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . . 5183 2 75 . 2 2 13 13 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 2 76 . 2 2 13 13 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . . 5183 2 77 . 2 2 14 14 ASP H H 1 6.62 0.02 . 1 . . . . . . . . . 5183 2 78 . 2 2 14 14 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . . 5183 2 79 . 2 2 15 15 GLY H H 1 7.44 0.02 . 1 . . . . . . . . . 5183 2 80 . 2 2 15 15 GLY HA2 H 1 3.47 0.02 . 1 . . . . . . . . . 5183 2 81 . 2 2 15 15 GLY HA3 H 1 3.47 0.02 . 1 . . . . . . . . . 5183 2 82 . 2 2 15 15 GLY N N 15 108.01 0.02 . 1 . . . . . . . . . 5183 2 83 . 2 2 16 16 CLH H H 1 6.78 0.02 . 1 . . . . . . . . . 5183 2 84 . 2 2 16 16 CLH HA H 1 4.32 0.02 . 1 . . . . . . . . . 5183 2 85 . 2 2 16 16 CLH HE2 H 1 1.56 0.02 . 1 . . . . . . . . . 5183 2 86 . 2 2 16 16 CLH HE3 H 1 1.56 0.02 . 1 . . . . . . . . . 5183 2 87 . 2 2 17 17 ABA H H 1 8.94 0.02 . 1 . . . . . . . . . 5183 2 88 . 2 2 17 17 ABA HA H 1 5.1 0.02 . 1 . . . . . . . . . 5183 2 89 . 2 2 17 17 ABA HB2 H 1 1.97 0.02 . 1 . . . . . . . . . 5183 2 90 . 2 2 17 17 ABA HB3 H 1 1.97 0.02 . 1 . . . . . . . . . 5183 2 91 . 2 2 17 17 ABA HG2 H 1 1.02 0.02 . 1 . . . . . . . . . 5183 2 92 . 2 2 17 17 ABA HG3 H 1 1.02 0.02 . 1 . . . . . . . . . 5183 2 93 . 2 2 18 18 GLN H H 1 9.34 0.02 . 1 . . . . . . . . . 5183 2 94 . 2 2 18 18 GLN HA H 1 4.75 0.02 . 1 . . . . . . . . . 5183 2 95 . 2 2 18 18 GLN HB2 H 1 1.95 0.02 . 1 . . . . . . . . . 5183 2 96 . 2 2 18 18 GLN HB3 H 1 1.95 0.02 . 1 . . . . . . . . . 5183 2 97 . 2 2 18 18 GLN HG2 H 1 2.05 0.02 . 1 . . . . . . . . . 5183 2 98 . 2 2 18 18 GLN HG3 H 1 2.05 0.02 . 1 . . . . . . . . . 5183 2 99 . 2 2 19 19 THR H H 1 8.55 0.02 . 1 . . . . . . . . . 5183 2 100 . 2 2 19 19 THR HA H 1 5.19 0.02 . 1 . . . . . . . . . 5183 2 101 . 2 2 19 19 THR HB H 1 3.85 0.02 . 1 . . . . . . . . . 5183 2 102 . 2 2 19 19 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . . 5183 2 103 . 2 2 19 19 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . . 5183 2 104 . 2 2 19 19 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . . 5183 2 105 . 2 2 20 20 PHE H H 1 9.34 0.02 . 1 . . . . . . . . . 5183 2 106 . 2 2 20 20 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . . 5183 2 107 . 2 2 20 20 PHE HB2 H 1 2.76 0.02 . 1 . . . . . . . . . 5183 2 108 . 2 2 20 20 PHE HB3 H 1 2.76 0.02 . 1 . . . . . . . . . 5183 2 109 . 2 2 20 20 PHE N N 15 126.75 0.02 . 1 . . . . . . . . . 5183 2 110 . 2 2 21 21 VAL H H 1 8.38 0.02 . 1 . . . . . . . . . 5183 2 111 . 2 2 21 21 VAL HA H 1 4.64 0.02 . 1 . . . . . . . . . 5183 2 112 . 2 2 21 21 VAL HB H 1 1.87 0.02 . 1 . . . . . . . . . 5183 2 113 . 2 2 21 21 VAL HG11 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 114 . 2 2 21 21 VAL HG12 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 115 . 2 2 21 21 VAL HG13 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 116 . 2 2 21 21 VAL HG21 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 117 . 2 2 21 21 VAL HG22 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 118 . 2 2 21 21 VAL HG23 H 1 0.83 0.02 . 1 . . . . . . . . . 5183 2 119 . 2 2 21 21 VAL N N 15 121.88 0.02 . 1 . . . . . . . . . 5183 2 120 . 2 2 22 22 TYR H H 1 9.16 0.02 . 1 . . . . . . . . . 5183 2 121 . 2 2 22 22 TYR HA H 1 4.88 0.02 . 1 . . . . . . . . . 5183 2 122 . 2 2 22 22 TYR HB2 H 1 3.15 0.02 . 2 . . . . . . . . . 5183 2 123 . 2 2 22 22 TYR HB3 H 1 2.91 0.02 . 2 . . . . . . . . . 5183 2 124 . 2 2 22 22 TYR HD1 H 1 7.07 0.02 . 1 . . . . . . . . . 5183 2 125 . 2 2 22 22 TYR HD2 H 1 7.07 0.02 . 1 . . . . . . . . . 5183 2 126 . 2 2 22 22 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . . 5183 2 127 . 2 2 22 22 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . . 5183 2 128 . 2 2 23 23 GLY H H 1 8.67 0.02 . 1 . . . . . . . . . 5183 2 129 . 2 2 23 23 GLY HA2 H 1 4.23 0.02 . 2 . . . . . . . . . 5183 2 130 . 2 2 23 23 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . . 5183 2 131 . 2 2 23 23 GLY N N 15 110.18 0.02 . 1 . . . . . . . . . 5183 2 132 . 2 2 24 24 GLY H H 1 7.99 0.02 . 1 . . . . . . . . . 5183 2 133 . 2 2 24 24 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . . 5183 2 134 . 2 2 24 24 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . . 5183 2 135 . 2 2 24 24 GLY N N 15 107.17 0.02 . 1 . . . . . . . . . 5183 2 136 . 2 2 25 25 CYS H H 1 8.56 0.02 . 1 . . . . . . . . . 5183 2 137 . 2 2 25 25 CYS HA H 1 4.69 0.02 . 1 . . . . . . . . . 5183 2 138 . 2 2 25 25 CYS HB2 H 1 3.27 0.02 . 1 . . . . . . . . . 5183 2 139 . 2 2 25 25 CYS HB3 H 1 3.27 0.02 . 1 . . . . . . . . . 5183 2 stop_ save_